René's URL Explorer Experiment


Title: GitHub - gnina/scripts

Open Graph Title: GitHub - gnina/scripts

X Title: GitHub - gnina/scripts

Description: Contribute to gnina/scripts development by creating an account on GitHub.

Open Graph Description: Contribute to gnina/scripts development by creating an account on GitHub.

X Description: Contribute to gnina/scripts development by creating an account on GitHub.

Opengraph URL: https://github.com/gnina/scripts

X: @github

direct link

Domain: patch-diff.githubusercontent.com

route-pattern/:user_id/:repository
route-controllerfiles
route-actiondisambiguate
fetch-noncev2:b8bea427-21e7-5439-6d6d-ccec38e6f290
current-catalog-service-hashf3abb0cc802f3d7b95fc8762b94bdcb13bf39634c40c357301c4aa1d67a256fb
request-id8440:31CE76:527C7E:743630:698C9B24
html-safe-nonce1e574aef77868e7708e3e32f70a9645064aa4cb3753c23f0eadc9ff860e7511e
visitor-payloadeyJyZWZlcnJlciI6IiIsInJlcXVlc3RfaWQiOiI4NDQwOjMxQ0U3Njo1MjdDN0U6NzQzNjMwOjY5OEM5QjI0IiwidmlzaXRvcl9pZCI6IjQ0ODAzODQ1MzA4MDAwNTQxMiIsInJlZ2lvbl9lZGdlIjoiaWFkIiwicmVnaW9uX3JlbmRlciI6ImlhZCJ9
visitor-hmac2564acfc6a9ac5342ea0fdbad61509b85e4c5d643948d26ced154d7581984213
hovercard-subject-tagrepository:52674832
github-keyboard-shortcutsrepository,copilot
google-site-verificationApib7-x98H0j5cPqHWwSMm6dNU4GmODRoqxLiDzdx9I
octolytics-urlhttps://collector.github.com/github/collect
analytics-location//
fb:app_id1401488693436528
apple-itunes-appapp-id=1477376905, app-argument=https://github.com/gnina/scripts
twitter:imagehttps://opengraph.githubassets.com/dac1d68fb27658145675cf0a1c2ed7ad7986931ad0931c56d32bacf4b448c5cc/gnina/scripts
twitter:cardsummary_large_image
og:imagehttps://opengraph.githubassets.com/dac1d68fb27658145675cf0a1c2ed7ad7986931ad0931c56d32bacf4b448c5cc/gnina/scripts
og:image:altContribute to gnina/scripts development by creating an account on GitHub.
og:image:width1200
og:image:height600
og:site_nameGitHub
og:typeobject
hostnamegithub.com
expected-hostnamegithub.com
None640eeb7b6ff4d8d106235d228c0c286e82592d4d2403227b5b2b4fc5832297a4
turbo-cache-controlno-preview
go-importgithub.com/gnina/scripts git https://github.com/gnina/scripts.git
octolytics-dimension-user_id15654234
octolytics-dimension-user_logingnina
octolytics-dimension-repository_id52674832
octolytics-dimension-repository_nwognina/scripts
octolytics-dimension-repository_publictrue
octolytics-dimension-repository_is_forkfalse
octolytics-dimension-repository_network_root_id52674832
octolytics-dimension-repository_network_root_nwognina/scripts
turbo-body-classeslogged-out env-production page-responsive
disable-turbofalse
browser-stats-urlhttps://api.github.com/_private/browser/stats
browser-errors-urlhttps://api.github.com/_private/browser/errors
release3d444f0a47beeeac94cddbb51c91ab408befe8d4
ui-targetfull
theme-color#1e2327
color-schemelight dark

Links:

Skip to contenthttps://patch-diff.githubusercontent.com/gnina/scripts#start-of-content
https://patch-diff.githubusercontent.com/
Sign in https://patch-diff.githubusercontent.com/login?return_to=https%3A%2F%2Fgithub.com%2Fgnina%2Fscripts
GitHub CopilotWrite better code with AIhttps://github.com/features/copilot
GitHub SparkBuild and deploy intelligent appshttps://github.com/features/spark
GitHub ModelsManage and compare promptshttps://github.com/features/models
MCP RegistryNewIntegrate external toolshttps://github.com/mcp
ActionsAutomate any workflowhttps://github.com/features/actions
CodespacesInstant dev environmentshttps://github.com/features/codespaces
IssuesPlan and track workhttps://github.com/features/issues
Code ReviewManage code changeshttps://github.com/features/code-review
GitHub Advanced SecurityFind and fix vulnerabilitieshttps://github.com/security/advanced-security
Code securitySecure your code as you buildhttps://github.com/security/advanced-security/code-security
Secret protectionStop leaks before they starthttps://github.com/security/advanced-security/secret-protection
Why GitHubhttps://github.com/why-github
Documentationhttps://docs.github.com
Bloghttps://github.blog
Changeloghttps://github.blog/changelog
Marketplacehttps://github.com/marketplace
View all featureshttps://github.com/features
Enterpriseshttps://github.com/enterprise
Small and medium teamshttps://github.com/team
Startupshttps://github.com/enterprise/startups
Nonprofitshttps://github.com/solutions/industry/nonprofits
App Modernizationhttps://github.com/solutions/use-case/app-modernization
DevSecOpshttps://github.com/solutions/use-case/devsecops
DevOpshttps://github.com/solutions/use-case/devops
CI/CDhttps://github.com/solutions/use-case/ci-cd
View all use caseshttps://github.com/solutions/use-case
Healthcarehttps://github.com/solutions/industry/healthcare
Financial serviceshttps://github.com/solutions/industry/financial-services
Manufacturinghttps://github.com/solutions/industry/manufacturing
Governmenthttps://github.com/solutions/industry/government
View all industrieshttps://github.com/solutions/industry
View all solutionshttps://github.com/solutions
AIhttps://github.com/resources/articles?topic=ai
Software Developmenthttps://github.com/resources/articles?topic=software-development
DevOpshttps://github.com/resources/articles?topic=devops
Securityhttps://github.com/resources/articles?topic=security
View all topicshttps://github.com/resources/articles
Customer storieshttps://github.com/customer-stories
Events & webinarshttps://github.com/resources/events
Ebooks & reportshttps://github.com/resources/whitepapers
Business insightshttps://github.com/solutions/executive-insights
GitHub Skillshttps://skills.github.com
Documentationhttps://docs.github.com
Customer supporthttps://support.github.com
Community forumhttps://github.com/orgs/community/discussions
Trust centerhttps://github.com/trust-center
Partnershttps://github.com/partners
GitHub SponsorsFund open source developershttps://github.com/sponsors
Security Labhttps://securitylab.github.com
Maintainer Communityhttps://maintainers.github.com
Acceleratorhttps://github.com/accelerator
Archive Programhttps://archiveprogram.github.com
Topicshttps://github.com/topics
Trendinghttps://github.com/trending
Collectionshttps://github.com/collections
Enterprise platformAI-powered developer platformhttps://github.com/enterprise
GitHub Advanced SecurityEnterprise-grade security featureshttps://github.com/security/advanced-security
Copilot for BusinessEnterprise-grade AI featureshttps://github.com/features/copilot/copilot-business
Premium SupportEnterprise-grade 24/7 supporthttps://github.com/premium-support
Pricinghttps://github.com/pricing
Search syntax tipshttps://docs.github.com/search-github/github-code-search/understanding-github-code-search-syntax
documentationhttps://docs.github.com/search-github/github-code-search/understanding-github-code-search-syntax
Sign in https://patch-diff.githubusercontent.com/login?return_to=https%3A%2F%2Fgithub.com%2Fgnina%2Fscripts
Sign up https://patch-diff.githubusercontent.com/signup?ref_cta=Sign+up&ref_loc=header+logged+out&ref_page=%2F%3Cuser-name%3E%2F%3Crepo-name%3E&source=header-repo&source_repo=gnina%2Fscripts
Reloadhttps://patch-diff.githubusercontent.com/gnina/scripts
Reloadhttps://patch-diff.githubusercontent.com/gnina/scripts
Reloadhttps://patch-diff.githubusercontent.com/gnina/scripts
gnina https://patch-diff.githubusercontent.com/gnina
scriptshttps://patch-diff.githubusercontent.com/gnina/scripts
Notifications https://patch-diff.githubusercontent.com/login?return_to=%2Fgnina%2Fscripts
Fork 84 https://patch-diff.githubusercontent.com/login?return_to=%2Fgnina%2Fscripts
Star 27 https://patch-diff.githubusercontent.com/login?return_to=%2Fgnina%2Fscripts
BSD-3-Clause license https://patch-diff.githubusercontent.com/gnina/scripts/blob/master/LICENSE
27 stars https://patch-diff.githubusercontent.com/gnina/scripts/stargazers
84 forks https://patch-diff.githubusercontent.com/gnina/scripts/forks
Branches https://patch-diff.githubusercontent.com/gnina/scripts/branches
Tags https://patch-diff.githubusercontent.com/gnina/scripts/tags
Activity https://patch-diff.githubusercontent.com/gnina/scripts/activity
Star https://patch-diff.githubusercontent.com/login?return_to=%2Fgnina%2Fscripts
Notifications https://patch-diff.githubusercontent.com/login?return_to=%2Fgnina%2Fscripts
Code https://patch-diff.githubusercontent.com/gnina/scripts
Issues 5 https://patch-diff.githubusercontent.com/gnina/scripts/issues
Pull requests 0 https://patch-diff.githubusercontent.com/gnina/scripts/pulls
Actions https://patch-diff.githubusercontent.com/gnina/scripts/actions
Projects 0 https://patch-diff.githubusercontent.com/gnina/scripts/projects
Security 0 https://patch-diff.githubusercontent.com/gnina/scripts/security
Insights https://patch-diff.githubusercontent.com/gnina/scripts/pulse
Code https://patch-diff.githubusercontent.com/gnina/scripts
Issues https://patch-diff.githubusercontent.com/gnina/scripts/issues
Pull requests https://patch-diff.githubusercontent.com/gnina/scripts/pulls
Actions https://patch-diff.githubusercontent.com/gnina/scripts/actions
Projects https://patch-diff.githubusercontent.com/gnina/scripts/projects
Security https://patch-diff.githubusercontent.com/gnina/scripts/security
Insights https://patch-diff.githubusercontent.com/gnina/scripts/pulse
Brancheshttps://patch-diff.githubusercontent.com/gnina/scripts/branches
Tagshttps://patch-diff.githubusercontent.com/gnina/scripts/tags
https://patch-diff.githubusercontent.com/gnina/scripts/branches
https://patch-diff.githubusercontent.com/gnina/scripts/tags
414 Commitshttps://patch-diff.githubusercontent.com/gnina/scripts/commits/master/
https://patch-diff.githubusercontent.com/gnina/scripts/commits/master/
affinity_searchhttps://patch-diff.githubusercontent.com/gnina/scripts/tree/master/affinity_search
affinity_searchhttps://patch-diff.githubusercontent.com/gnina/scripts/tree/master/affinity_search
docshttps://patch-diff.githubusercontent.com/gnina/scripts/tree/master/docs
docshttps://patch-diff.githubusercontent.com/gnina/scripts/tree/master/docs
modelshttps://patch-diff.githubusercontent.com/gnina/scripts/tree/master/models
modelshttps://patch-diff.githubusercontent.com/gnina/scripts/tree/master/models
.gitignorehttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/.gitignore
.gitignorehttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/.gitignore
LICENSEhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/LICENSE
LICENSEhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/LICENSE
README.mdhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/README.md
README.mdhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/README.md
bootstrap.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/bootstrap.py
bootstrap.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/bootstrap.py
calccenters.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/calccenters.py
calccenters.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/calccenters.py
calctop.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/calctop.py
calctop.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/calctop.py
cd2020_pockets.txthttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/cd2020_pockets.txt
cd2020_pockets.txthttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/cd2020_pockets.txt
cgo_arrow.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/cgo_arrow.py
cgo_arrow.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/cgo_arrow.py
clean_kept_models.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/clean_kept_models.py
clean_kept_models.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/clean_kept_models.py
clustering.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/clustering.py
clustering.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/clustering.py
combine_fold_results.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/combine_fold_results.py
combine_fold_results.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/combine_fold_results.py
combine_rows.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/combine_rows.py
combine_rows.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/combine_rows.py
combine_rows_lowmem.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/combine_rows_lowmem.py
combine_rows_lowmem.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/combine_rows_lowmem.py
compute_row.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/compute_row.py
compute_row.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/compute_row.py
compute_seqs.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/compute_seqs.py
compute_seqs.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/compute_seqs.py
counterexample_generation_jobs.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/counterexample_generation_jobs.py
counterexample_generation_jobs.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/counterexample_generation_jobs.py
create_caches.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/create_caches.py
create_caches.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/create_caches.py
create_caches2.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/create_caches2.py
create_caches2.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/create_caches2.py
generate_counterexample_typeslines.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/generate_counterexample_typeslines.py
generate_counterexample_typeslines.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/generate_counterexample_typeslines.py
generate_unique_lig_poses.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/generate_unique_lig_poses.py
generate_unique_lig_poses.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/generate_unique_lig_poses.py
gly_gly_gly.pdbhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/gly_gly_gly.pdb
gly_gly_gly.pdbhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/gly_gly_gly.pdb
grid_visualization.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/grid_visualization.py
grid_visualization.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/grid_visualization.py
pdbbind2017_affs.txthttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/pdbbind2017_affs.txt
pdbbind2017_affs.txthttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/pdbbind2017_affs.txt
predict.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/predict.py
predict.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/predict.py
pymol_arrows.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/pymol_arrows.py
pymol_arrows.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/pymol_arrows.py
reduce_data.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/reduce_data.py
reduce_data.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/reduce_data.py
show_xyz_arrows.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/show_xyz_arrows.py
show_xyz_arrows.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/show_xyz_arrows.py
simple_grid_visualization.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/simple_grid_visualization.py
simple_grid_visualization.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/simple_grid_visualization.py
timemodel.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/timemodel.py
timemodel.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/timemodel.py
train.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/train.py
train.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/train.py
types2xyz.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/types2xyz.py
types2xyz.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/types2xyz.py
types_extender.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/types_extender.py
types_extender.pyhttps://patch-diff.githubusercontent.com/gnina/scripts/blob/master/types_extender.py
READMEhttps://patch-diff.githubusercontent.com/gnina/scripts
BSD-3-Clause licensehttps://patch-diff.githubusercontent.com/gnina/scripts
https://patch-diff.githubusercontent.com/gnina/scripts#scripts-for-training-and-validating-neural-network-models-for-gnina
https://patch-diff.githubusercontent.com/gnina/scripts#dependencies
herehttps://www.rdkit.org/docs/Install.html
herehttp://openbabel.org/wiki/Category:Installation
https://patch-diff.githubusercontent.com/gnina/scripts#training
https://patch-diff.githubusercontent.com/gnina/scripts#generating-clustered-cross-validation-splits-of-data
https://patch-diff.githubusercontent.com/gnina/scripts#case-1-using-clusteringpy
https://patch-diff.githubusercontent.com/gnina/scripts#case-2-running-compute_py-pipeline
https://patch-diff.githubusercontent.com/gnina/scripts#adding-new-counterexamples-to-types-files
https://patch-diff.githubusercontent.com/gnina/scripts#step-1-generating-the-unique-poses-for-a-pocket
https://patch-diff.githubusercontent.com/gnina/scripts#step-2----generating-the-gnina-commands-to-generate-the-counterexamples
https://patch-diff.githubusercontent.com/gnina/scripts#step-3----generating-the-lines-to-add-to-the-types-files
https://patch-diff.githubusercontent.com/gnina/scripts#step-4----adding-the-lines-for-the-counterexamples-to-the-types-file
https://patch-diff.githubusercontent.com/gnina/scripts#using-visualization-script
https://patch-diff.githubusercontent.com/gnina/scripts#case-1-using-simple_grid_visualizationpy
https://patch-diff.githubusercontent.com/gnina/scripts#case-2-using-grid_visualizationpy
Readme https://patch-diff.githubusercontent.com/gnina/scripts#readme-ov-file
BSD-3-Clause license https://patch-diff.githubusercontent.com/gnina/scripts#BSD-3-Clause-1-ov-file
Please reload this pagehttps://patch-diff.githubusercontent.com/gnina/scripts
Activityhttps://patch-diff.githubusercontent.com/gnina/scripts/activity
Custom propertieshttps://patch-diff.githubusercontent.com/gnina/scripts/custom-properties
27 starshttps://patch-diff.githubusercontent.com/gnina/scripts/stargazers
4 watchinghttps://patch-diff.githubusercontent.com/gnina/scripts/watchers
84 forkshttps://patch-diff.githubusercontent.com/gnina/scripts/forks
Report repository https://patch-diff.githubusercontent.com/contact/report-content?content_url=https%3A%2F%2Fgithub.com%2Fgnina%2Fscripts&report=gnina+%28user%29
Releaseshttps://patch-diff.githubusercontent.com/gnina/scripts/releases
Packages 0https://patch-diff.githubusercontent.com/orgs/gnina/packages?repo_name=scripts
Please reload this pagehttps://patch-diff.githubusercontent.com/gnina/scripts
Contributors 7https://patch-diff.githubusercontent.com/gnina/scripts/graphs/contributors
Please reload this pagehttps://patch-diff.githubusercontent.com/gnina/scripts
Jupyter Notebook 95.2% https://patch-diff.githubusercontent.com/gnina/scripts/search?l=jupyter-notebook
Python 4.8% https://patch-diff.githubusercontent.com/gnina/scripts/search?l=python
https://github.com
Termshttps://docs.github.com/site-policy/github-terms/github-terms-of-service
Privacyhttps://docs.github.com/site-policy/privacy-policies/github-privacy-statement
Securityhttps://github.com/security
Statushttps://www.githubstatus.com/
Communityhttps://github.community/
Docshttps://docs.github.com/
Contacthttps://support.github.com?tags=dotcom-footer

Viewport: width=device-width


URLs of crawlers that visited me.