René's URL Explorer Experiment


Title: GitHub - molML/MoleculeACE: A tool for evaluating the predictive performance on activity cliff compounds of machine learning models

Open Graph Title: GitHub - molML/MoleculeACE: A tool for evaluating the predictive performance on activity cliff compounds of machine learning models

X Title: GitHub - molML/MoleculeACE: A tool for evaluating the predictive performance on activity cliff compounds of machine learning models

Description: A tool for evaluating the predictive performance on activity cliff compounds of machine learning models - molML/MoleculeACE

Open Graph Description: A tool for evaluating the predictive performance on activity cliff compounds of machine learning models - molML/MoleculeACE

X Description: A tool for evaluating the predictive performance on activity cliff compounds of machine learning models - molML/MoleculeACE

Opengraph URL: https://github.com/molML/MoleculeACE

X: @github

direct link

Domain: patch-diff.githubusercontent.com

route-pattern/:user_id/:repository
route-controllerfiles
route-actiondisambiguate
fetch-noncev2:a15e9236-045f-fdbd-c11a-5791336be5ac
current-catalog-service-hashf3abb0cc802f3d7b95fc8762b94bdcb13bf39634c40c357301c4aa1d67a256fb
request-id88FC:2A769C:D19194:1136E4F:698D5660
html-safe-nonce49ad2bd6eb99d506ee0edfea7a3e4591ef8877ddb62ecd7e84d25087d53242e8
visitor-payloadeyJyZWZlcnJlciI6IiIsInJlcXVlc3RfaWQiOiI4OEZDOjJBNzY5QzpEMTkxOTQ6MTEzNkU0Rjo2OThENTY2MCIsInZpc2l0b3JfaWQiOiI1NzM3ODE2NDU1MTE1NTI3Nzc2IiwicmVnaW9uX2VkZ2UiOiJpYWQiLCJyZWdpb25fcmVuZGVyIjoiaWFkIn0=
visitor-hmac28362b6ffa328ddd61df07ced79627a5807dfd08f375e4fa9888f2f9ff94b69e
hovercard-subject-tagrepository:474287352
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/molML/MoleculeACE
twitter:imagehttps://opengraph.githubassets.com/c4ecb664b680d8f6e44f5b35540f374f89f506bfa1a503b30fe814b011839fd9/molML/MoleculeACE
twitter:cardsummary_large_image
og:imagehttps://opengraph.githubassets.com/c4ecb664b680d8f6e44f5b35540f374f89f506bfa1a503b30fe814b011839fd9/molML/MoleculeACE
og:image:altA tool for evaluating the predictive performance on activity cliff compounds of machine learning models - molML/MoleculeACE
og:image:width1200
og:image:height600
og:site_nameGitHub
og:typeobject
hostnamegithub.com
expected-hostnamegithub.com
Nonec0818105fa276287e9369cfdefa0a0fa7953719791ceff9b94d69623c0a4fe8a
turbo-cache-controlno-preview
go-importgithub.com/molML/MoleculeACE git https://github.com/molML/MoleculeACE.git
octolytics-dimension-user_id70770977
octolytics-dimension-user_loginmolML
octolytics-dimension-repository_id474287352
octolytics-dimension-repository_nwomolML/MoleculeACE
octolytics-dimension-repository_publictrue
octolytics-dimension-repository_is_forkfalse
octolytics-dimension-repository_network_root_id474287352
octolytics-dimension-repository_network_root_nwomolML/MoleculeACE
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
releasea95a17cc440c14d4fcddc0641bc1136fa8d908f0
ui-targetfull
theme-color#1e2327
color-schemelight dark

Links:

Skip to contenthttps://patch-diff.githubusercontent.com/molML/MoleculeACE#start-of-content
https://patch-diff.githubusercontent.com/
Sign in https://patch-diff.githubusercontent.com/login?return_to=https%3A%2F%2Fgithub.com%2FmolML%2FMoleculeACE
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%2FmolML%2FMoleculeACE
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=molML%2FMoleculeACE
Reloadhttps://patch-diff.githubusercontent.com/molML/MoleculeACE
Reloadhttps://patch-diff.githubusercontent.com/molML/MoleculeACE
Reloadhttps://patch-diff.githubusercontent.com/molML/MoleculeACE
molML https://patch-diff.githubusercontent.com/molML
MoleculeACEhttps://patch-diff.githubusercontent.com/molML/MoleculeACE
Notifications https://patch-diff.githubusercontent.com/login?return_to=%2FmolML%2FMoleculeACE
Fork 25 https://patch-diff.githubusercontent.com/login?return_to=%2FmolML%2FMoleculeACE
Star 205 https://patch-diff.githubusercontent.com/login?return_to=%2FmolML%2FMoleculeACE
MIT license https://patch-diff.githubusercontent.com/molML/MoleculeACE/blob/main/LICENCE
205 stars https://patch-diff.githubusercontent.com/molML/MoleculeACE/stargazers
25 forks https://patch-diff.githubusercontent.com/molML/MoleculeACE/forks
Branches https://patch-diff.githubusercontent.com/molML/MoleculeACE/branches
Tags https://patch-diff.githubusercontent.com/molML/MoleculeACE/tags
Activity https://patch-diff.githubusercontent.com/molML/MoleculeACE/activity
Star https://patch-diff.githubusercontent.com/login?return_to=%2FmolML%2FMoleculeACE
Notifications https://patch-diff.githubusercontent.com/login?return_to=%2FmolML%2FMoleculeACE
Code https://patch-diff.githubusercontent.com/molML/MoleculeACE
Issues 3 https://patch-diff.githubusercontent.com/molML/MoleculeACE/issues
Pull requests 0 https://patch-diff.githubusercontent.com/molML/MoleculeACE/pulls
Actions https://patch-diff.githubusercontent.com/molML/MoleculeACE/actions
Projects 0 https://patch-diff.githubusercontent.com/molML/MoleculeACE/projects
Security 0 https://patch-diff.githubusercontent.com/molML/MoleculeACE/security
Insights https://patch-diff.githubusercontent.com/molML/MoleculeACE/pulse
Code https://patch-diff.githubusercontent.com/molML/MoleculeACE
Issues https://patch-diff.githubusercontent.com/molML/MoleculeACE/issues
Pull requests https://patch-diff.githubusercontent.com/molML/MoleculeACE/pulls
Actions https://patch-diff.githubusercontent.com/molML/MoleculeACE/actions
Projects https://patch-diff.githubusercontent.com/molML/MoleculeACE/projects
Security https://patch-diff.githubusercontent.com/molML/MoleculeACE/security
Insights https://patch-diff.githubusercontent.com/molML/MoleculeACE/pulse
Brancheshttps://patch-diff.githubusercontent.com/molML/MoleculeACE/branches
Tagshttps://patch-diff.githubusercontent.com/molML/MoleculeACE/tags
https://patch-diff.githubusercontent.com/molML/MoleculeACE/branches
https://patch-diff.githubusercontent.com/molML/MoleculeACE/tags
139 Commitshttps://patch-diff.githubusercontent.com/molML/MoleculeACE/commits/main/
https://patch-diff.githubusercontent.com/molML/MoleculeACE/commits/main/
Experimentshttps://patch-diff.githubusercontent.com/molML/MoleculeACE/tree/main/Experiments
Experimentshttps://patch-diff.githubusercontent.com/molML/MoleculeACE/tree/main/Experiments
MoleculeACEhttps://patch-diff.githubusercontent.com/molML/MoleculeACE/tree/main/MoleculeACE
MoleculeACEhttps://patch-diff.githubusercontent.com/molML/MoleculeACE/tree/main/MoleculeACE
imghttps://patch-diff.githubusercontent.com/molML/MoleculeACE/tree/main/img
imghttps://patch-diff.githubusercontent.com/molML/MoleculeACE/tree/main/img
LICENCEhttps://patch-diff.githubusercontent.com/molML/MoleculeACE/blob/main/LICENCE
LICENCEhttps://patch-diff.githubusercontent.com/molML/MoleculeACE/blob/main/LICENCE
README.mdhttps://patch-diff.githubusercontent.com/molML/MoleculeACE/blob/main/README.md
README.mdhttps://patch-diff.githubusercontent.com/molML/MoleculeACE/blob/main/README.md
setup.pyhttps://patch-diff.githubusercontent.com/molML/MoleculeACE/blob/main/setup.py
setup.pyhttps://patch-diff.githubusercontent.com/molML/MoleculeACE/blob/main/setup.py
READMEhttps://patch-diff.githubusercontent.com/molML/MoleculeACE
MIT licensehttps://patch-diff.githubusercontent.com/molML/MoleculeACE
https://patch-diff.githubusercontent.com/molML/MoleculeACE/blob/main/img/MoleculeACE.png?raw=true
https://camo.githubusercontent.com/137b938aa9c9954245784c55aa6badaef7d5417bd08affa3616569ed4bbebbbb/68747470733a2f2f696d672e736869656c64732e696f2f62616467652f56657273696f6e2d762e253230332e302e312d677265656e
https://camo.githubusercontent.com/fbe2deb48b61390deb37c1e68ffcd3c09feb551d34c708b88af980951746141f/68747470733a2f2f696d672e736869656c64732e696f2f62616467652f707974686f6e2d762e332e382d626c7565
https://camo.githubusercontent.com/0f9c5e5f2eea15e83b9bc802020549af0a9322735e6205719ddb9c72c43935b4/68747470733a2f2f696d672e736869656c64732e696f2f62616467652f6c6963656e73652d4d49542d6f72616e6765
https://doi.org/10.1021/acs.jcim.2c01073
https://patch-diff.githubusercontent.com/molML/MoleculeACE#-update-
https://patch-diff.githubusercontent.com/molML/MoleculeACE#-book-table-of-contents
➤ Benchmark studyhttps://patch-diff.githubusercontent.com/molML/MoleculeACE#Benchmark study
➤ Toolhttps://patch-diff.githubusercontent.com/molML/MoleculeACE#Tool
➤ Prerequisiteshttps://patch-diff.githubusercontent.com/molML/MoleculeACE#Prerequisites
➤ Installationhttps://patch-diff.githubusercontent.com/molML/MoleculeACE#Installation
Pip installationhttps://patch-diff.githubusercontent.com/molML/MoleculeACE#Pip-installation
Manual installationhttps://patch-diff.githubusercontent.com/molML/MoleculeACE#Manual-installation
➤ Getting startedhttps://patch-diff.githubusercontent.com/molML/MoleculeACE#Getting-started
Train an out-of-the-box modelhttps://patch-diff.githubusercontent.com/molML/MoleculeACE#train-model
Evaluate your own modelhttps://patch-diff.githubusercontent.com/molML/MoleculeACE#eval-own-model
➤ How to citehttps://patch-diff.githubusercontent.com/molML/MoleculeACE#How-to-cite
➤ Licencehttps://patch-diff.githubusercontent.com/molML/MoleculeACE#License
https://patch-diff.githubusercontent.com/molML/MoleculeACE#benchmark-study
https://patch-diff.githubusercontent.com/molML/MoleculeACE/blob/main/img/cliff_example.png?raw=true
https://patch-diff.githubusercontent.com/molML/MoleculeACE#tool
https://patch-diff.githubusercontent.com/molML/MoleculeACE/blob/main/img/moleculeACE_example.png?raw=true
https://patch-diff.githubusercontent.com/molML/MoleculeACE#prerequisites
Tensorflowhttps://www.tensorflow.org/
PyTorchhttps://pytorch.org/
PyTorch Geometrichttps://pytorch-geometric.readthedocs.io/en/latest/
Transformershttps://huggingface.co/docs/transformers/installation
https://patch-diff.githubusercontent.com/molML/MoleculeACE#installation
https://patch-diff.githubusercontent.com/molML/MoleculeACE#-pip-installation
https://patch-diff.githubusercontent.com/molML/MoleculeACE#-manual-installation
https://patch-diff.githubusercontent.com/molML/MoleculeACE#getting-started
https://patch-diff.githubusercontent.com/molML/MoleculeACE#-train-an-out-of-the-box-model-on-one-of-the-many-included-datasets
https://patch-diff.githubusercontent.com/molML/MoleculeACE#-evaluate-the-performance-of-your-own-model
https://patch-diff.githubusercontent.com/molML/MoleculeACE#how-to-cite
https://patch-diff.githubusercontent.com/molML/MoleculeACE#license
Readme https://patch-diff.githubusercontent.com/molML/MoleculeACE#readme-ov-file
MIT license https://patch-diff.githubusercontent.com/molML/MoleculeACE#MIT-1-ov-file
Please reload this pagehttps://patch-diff.githubusercontent.com/molML/MoleculeACE
Activityhttps://patch-diff.githubusercontent.com/molML/MoleculeACE/activity
Custom propertieshttps://patch-diff.githubusercontent.com/molML/MoleculeACE/custom-properties
205 starshttps://patch-diff.githubusercontent.com/molML/MoleculeACE/stargazers
4 watchinghttps://patch-diff.githubusercontent.com/molML/MoleculeACE/watchers
25 forkshttps://patch-diff.githubusercontent.com/molML/MoleculeACE/forks
Report repository https://patch-diff.githubusercontent.com/contact/report-content?content_url=https%3A%2F%2Fgithub.com%2FmolML%2FMoleculeACE&report=molML+%28user%29
Releases 3https://patch-diff.githubusercontent.com/molML/MoleculeACE/releases
V3 Latest Sep 29, 2023 https://patch-diff.githubusercontent.com/molML/MoleculeACE/releases/tag/v3.0.0
+ 2 releaseshttps://patch-diff.githubusercontent.com/molML/MoleculeACE/releases
Packages 0https://patch-diff.githubusercontent.com/orgs/molML/packages?repo_name=MoleculeACE
Please reload this pagehttps://patch-diff.githubusercontent.com/molML/MoleculeACE
Contributors 3https://patch-diff.githubusercontent.com/molML/MoleculeACE/graphs/contributors
Please reload this pagehttps://patch-diff.githubusercontent.com/molML/MoleculeACE
Python 77.7% https://patch-diff.githubusercontent.com/molML/MoleculeACE/search?l=python
R 22.3% https://patch-diff.githubusercontent.com/molML/MoleculeACE/search?l=r
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.