René's URL Explorer Experiment


Title: GitHub - molmod/ThermoLIB: ThermoLIB is a library for the construction, manipulation and post-processing of free energy surfaces from output of molecular simulations

Open Graph Title: GitHub - molmod/ThermoLIB: ThermoLIB is a library for the construction, manipulation and post-processing of free energy surfaces from output of molecular simulations

X Title: GitHub - molmod/ThermoLIB: ThermoLIB is a library for the construction, manipulation and post-processing of free energy surfaces from output of molecular simulations

Description: ThermoLIB is a library for the construction, manipulation and post-processing of free energy surfaces from output of molecular simulations - molmod/ThermoLIB

Open Graph Description: ThermoLIB is a library for the construction, manipulation and post-processing of free energy surfaces from output of molecular simulations - molmod/ThermoLIB

X Description: ThermoLIB is a library for the construction, manipulation and post-processing of free energy surfaces from output of molecular simulations - molmod/ThermoLIB

Mail addresses
Louis.Vanduyfhuys@UGent.be

Opengraph URL: https://github.com/molmod/ThermoLIB

X: @github

direct link

Domain: patch-diff.githubusercontent.com

route-pattern/:user_id/:repository
route-controllerfiles
route-actiondisambiguate
fetch-noncev2:240349e3-6e1f-b62e-b11f-e23a5837da7e
current-catalog-service-hashf3abb0cc802f3d7b95fc8762b94bdcb13bf39634c40c357301c4aa1d67a256fb
request-id8D72:180A69:2B8127:3A3B90:698E548B
html-safe-nonce7f0d23e2f426362e00a824e3e528e24e9f9ae7d4ac7e56bead4ffe9c83ebbeb2
visitor-payloadeyJyZWZlcnJlciI6IiIsInJlcXVlc3RfaWQiOiI4RDcyOjE4MEE2OToyQjgxMjc6M0EzQjkwOjY5OEU1NDhCIiwidmlzaXRvcl9pZCI6IjU2NTEzOTI5MTcwMjcwNTA2MzUiLCJyZWdpb25fZWRnZSI6ImlhZCIsInJlZ2lvbl9yZW5kZXIiOiJpYWQifQ==
visitor-hmaccba5950ad43c5aec1c20b8e4ffa4aeaa0d0890408117b241adfc2f493855e1e7
hovercard-subject-tagrepository:1145991863
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/molmod/ThermoLIB
twitter:imagehttps://opengraph.githubassets.com/da15625757f4f6f81a1a87058928702943b83b1727db31f04eb22d39898590e9/molmod/ThermoLIB
twitter:cardsummary_large_image
og:imagehttps://opengraph.githubassets.com/da15625757f4f6f81a1a87058928702943b83b1727db31f04eb22d39898590e9/molmod/ThermoLIB
og:image:altThermoLIB is a library for the construction, manipulation and post-processing of free energy surfaces from output of molecular simulations - molmod/ThermoLIB
og:image:width1200
og:image:height600
og:site_nameGitHub
og:typeobject
hostnamegithub.com
expected-hostnamegithub.com
None0e08b85f0035d49bc4c22868f70a4d30fb8c2a777936895c37e78df095242ddc
turbo-cache-controlno-preview
go-importgithub.com/molmod/ThermoLIB git https://github.com/molmod/ThermoLIB.git
octolytics-dimension-user_id1817844
octolytics-dimension-user_loginmolmod
octolytics-dimension-repository_id1145991863
octolytics-dimension-repository_nwomolmod/ThermoLIB
octolytics-dimension-repository_publictrue
octolytics-dimension-repository_is_forkfalse
octolytics-dimension-repository_network_root_id1145991863
octolytics-dimension-repository_network_root_nwomolmod/ThermoLIB
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
release9416d07f3607b074b276ccc81546278f89608a08
ui-targetfull
theme-color#1e2327
color-schemelight dark

Links:

Skip to contenthttps://patch-diff.githubusercontent.com/molmod/ThermoLIB#start-of-content
https://patch-diff.githubusercontent.com/
Sign in https://patch-diff.githubusercontent.com/login?return_to=https%3A%2F%2Fgithub.com%2Fmolmod%2FThermoLIB
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%2Fmolmod%2FThermoLIB
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=molmod%2FThermoLIB
Reloadhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB
Reloadhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB
Reloadhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB
molmod https://patch-diff.githubusercontent.com/molmod
ThermoLIBhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB
Notifications https://patch-diff.githubusercontent.com/login?return_to=%2Fmolmod%2FThermoLIB
Fork 0 https://patch-diff.githubusercontent.com/login?return_to=%2Fmolmod%2FThermoLIB
Star 5 https://patch-diff.githubusercontent.com/login?return_to=%2Fmolmod%2FThermoLIB
molmod.github.io/ThermoLIB/https://molmod.github.io/ThermoLIB/
GPL-3.0 license https://patch-diff.githubusercontent.com/molmod/ThermoLIB/blob/master/LICENSE
5 stars https://patch-diff.githubusercontent.com/molmod/ThermoLIB/stargazers
0 forks https://patch-diff.githubusercontent.com/molmod/ThermoLIB/forks
Branches https://patch-diff.githubusercontent.com/molmod/ThermoLIB/branches
Tags https://patch-diff.githubusercontent.com/molmod/ThermoLIB/tags
Activity https://patch-diff.githubusercontent.com/molmod/ThermoLIB/activity
Star https://patch-diff.githubusercontent.com/login?return_to=%2Fmolmod%2FThermoLIB
Notifications https://patch-diff.githubusercontent.com/login?return_to=%2Fmolmod%2FThermoLIB
Code https://patch-diff.githubusercontent.com/molmod/ThermoLIB
Issues 0 https://patch-diff.githubusercontent.com/molmod/ThermoLIB/issues
Pull requests 0 https://patch-diff.githubusercontent.com/molmod/ThermoLIB/pulls
Actions https://patch-diff.githubusercontent.com/molmod/ThermoLIB/actions
Projects 0 https://patch-diff.githubusercontent.com/molmod/ThermoLIB/projects
Security 0 https://patch-diff.githubusercontent.com/molmod/ThermoLIB/security
Insights https://patch-diff.githubusercontent.com/molmod/ThermoLIB/pulse
Code https://patch-diff.githubusercontent.com/molmod/ThermoLIB
Issues https://patch-diff.githubusercontent.com/molmod/ThermoLIB/issues
Pull requests https://patch-diff.githubusercontent.com/molmod/ThermoLIB/pulls
Actions https://patch-diff.githubusercontent.com/molmod/ThermoLIB/actions
Projects https://patch-diff.githubusercontent.com/molmod/ThermoLIB/projects
Security https://patch-diff.githubusercontent.com/molmod/ThermoLIB/security
Insights https://patch-diff.githubusercontent.com/molmod/ThermoLIB/pulse
Brancheshttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/branches
Tagshttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/tags
https://patch-diff.githubusercontent.com/molmod/ThermoLIB/branches
https://patch-diff.githubusercontent.com/molmod/ThermoLIB/tags
278 Commitshttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/commits/master/
https://patch-diff.githubusercontent.com/molmod/ThermoLIB/commits/master/
docshttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/tree/master/docs
docshttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/tree/master/docs
docsourcehttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/tree/master/docsource
docsourcehttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/tree/master/docsource
exampleshttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/tree/master/examples
exampleshttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/tree/master/examples
thermolibhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/tree/master/thermolib
thermolibhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/tree/master/thermolib
LICENSEhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/blob/master/LICENSE
LICENSEhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/blob/master/LICENSE
README.mdhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/blob/master/README.md
README.mdhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/blob/master/README.md
logo_thermolib_dark.pnghttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/blob/master/logo_thermolib_dark.png
logo_thermolib_dark.pnghttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/blob/master/logo_thermolib_dark.png
logo_thermolib_light.pnghttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/blob/master/logo_thermolib_light.png
logo_thermolib_light.pnghttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/blob/master/logo_thermolib_light.png
pyproject.tomlhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/blob/master/pyproject.toml
pyproject.tomlhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/blob/master/pyproject.toml
setup.pyhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/blob/master/setup.py
setup.pyhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/blob/master/setup.py
READMEhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB
GPL-3.0 licensehttps://patch-diff.githubusercontent.com/molmod/ThermoLIB
https://github.com/molmod/ThermoLIB/blob/master/logo_thermolib_light.png#gh-light-mode-only
https://github.com/molmod/ThermoLIB/blob/master/logo_thermolib_dark.png#gh-dark-mode-only
https://github.com/molmod/ThermoLIB/blob/master/LICENSE
https://camo.githubusercontent.com/1ad99d57f6174cb98ba6c71dbce41a5f6d8d0d0f8d2fb11784514931ea2eb03f/68747470733a2f2f666c61742e62616467656e2e6e65742f7374617469632f507974686f6e2f332e31342f626c7565
https://molmod.github.io/ThermoLIB/
https://patch-diff.githubusercontent.com/molmod/ThermoLIB#what-is-thermolib
Center for Molecular Modeling (CMM)https://molmod.ugent.be/
https://patch-diff.githubusercontent.com/molmod/ThermoLIB#documentation
the preprint on Arxivhttps://doi.org/10.48550/arXiv.2601.23071
https://molmod.github.io/ThermoLIB/https://molmod.github.io/ThermoLIB/
https://patch-diff.githubusercontent.com/molmod/ThermoLIB#how-to-cite-thermolib
https://patch-diff.githubusercontent.com/molmod/ThermoLIB#how-to-install
Cythonhttp://cython.org/
numpyhttp://numpy.org/
scipyhttp://www.scipy.org/
scikit-learnhttps://scikit-learn.org/
matplotlibhttp://matplotlib.sourceforge.net
h5pyhttps://www.h5py.org/
asehttps://wiki.fysik.dtu.dk/ase/
https://patch-diff.githubusercontent.com/molmod/ThermoLIB#terms-of-use
molmod.github.io/ThermoLIB/https://molmod.github.io/ThermoLIB/
Readme https://patch-diff.githubusercontent.com/molmod/ThermoLIB#readme-ov-file
GPL-3.0 license https://patch-diff.githubusercontent.com/molmod/ThermoLIB#GPL-3.0-1-ov-file
Please reload this pagehttps://patch-diff.githubusercontent.com/molmod/ThermoLIB
Activityhttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/activity
Custom propertieshttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/custom-properties
5 starshttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/stargazers
0 watchinghttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/watchers
0 forkshttps://patch-diff.githubusercontent.com/molmod/ThermoLIB/forks
Report repository https://patch-diff.githubusercontent.com/contact/report-content?content_url=https%3A%2F%2Fgithub.com%2Fmolmod%2FThermoLIB&report=molmod+%28user%29
Releases 1https://patch-diff.githubusercontent.com/molmod/ThermoLIB/releases
ThermoLIB v1.8.0 Latest Jan 30, 2026 https://patch-diff.githubusercontent.com/molmod/ThermoLIB/releases/tag/v1.8.0
Packages 0https://patch-diff.githubusercontent.com/orgs/molmod/packages?repo_name=ThermoLIB
Contributors 8https://patch-diff.githubusercontent.com/molmod/ThermoLIB/graphs/contributors
Please reload this pagehttps://patch-diff.githubusercontent.com/molmod/ThermoLIB
Jupyter Notebook 95.2% https://patch-diff.githubusercontent.com/molmod/ThermoLIB/search?l=jupyter-notebook
Python 4.8% https://patch-diff.githubusercontent.com/molmod/ThermoLIB/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.