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example_commit_workflow Public
Example minimal repo that runs a script and commits result to the repository
Python MIT License UpdatedApr 6, 2026 -
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StrainRelief Public
Forked from prescient-design/StrainReliefPython Apache License 2.0 UpdatedDec 10, 2025 -
openfe Public
Forked from OpenFreeEnergy/openfeThe Open Free Energy toolkit
Python MIT License UpdatedOct 18, 2025 -
molbloom-feedstock Public
Forked from conda-forge/molbloom-feedstockA conda-smithy repository for molbloom.
BSD 3-Clause "New" or "Revised" License UpdatedOct 17, 2025 -
pytng-feedstock Public
Forked from conda-forge/pytng-feedstockA conda-smithy repository for pytng.
BSD 3-Clause "New" or "Revised" License UpdatedOct 14, 2025 -
pytng Public
Forked from MDAnalysis/pytngPython bindings for TNG file format
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distopia-feedstock Public
Forked from conda-forge/distopia-feedstockA conda-smithy repository for distopia.
BSD 3-Clause "New" or "Revised" License UpdatedOct 13, 2025 -
pycomsia Public
Forked from clhaga/pycomsiaA pythonic implementation of CoMSIA
Python Creative Commons Attribution Share Alike 4.0 International UpdatedSep 15, 2025 -
synflownet-boltz Public
Forked from recursionpharma/synflownet-boltzPython MIT License UpdatedJun 27, 2025 -
joint-demo Public
Forked from omsf/joint-demoMaterials for the joint demo at the 2025 OMSF Symposium
Jupyter Notebook MIT License UpdatedJun 12, 2025 -
MDAnalysis.github.io Public
Forked from MDAnalysis/MDAnalysis.github.ioMDAnalysis home page mdanalysis.org as GitHub pages.
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VirtualiZarr Public
Forked from zarr-developers/VirtualiZarrCloud-Optimize your Scientific Data as Virtual Zarr stores, using xarray syntax.
Python Apache License 2.0 UpdatedMar 6, 2025 -
openmmforcefields Public
Forked from openmm/openmmforcefieldsCHARMM and AMBER forcefields for OpenMM (with small molecule support)
Python Other UpdatedFeb 27, 2025 -
lightweight-registration Public
Forked from rinikerlab/lightweight-registrationJupyter Notebook MIT License UpdatedFeb 17, 2025 -
mdanalysis Public
Forked from MDAnalysis/mdanalysisMDAnalysis is a Python library to analyze molecular dynamics trajectories.
Python Other UpdatedFeb 10, 2025 -
distopia Public
Forked from MDAnalysis/distopiatrying out SSE instructions for faster distance calculations
C++ MIT License UpdatedFeb 8, 2025 -
openff-bespokefit Public
Forked from openforcefield/openff-bespokefitAutomated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.
Python MIT License UpdatedFeb 3, 2025 -
mtenn-feedstock Public
Forked from conda-forge/mtenn-feedstockA conda-smithy repository for mtenn.
BSD 3-Clause "New" or "Revised" License UpdatedFeb 3, 2025 -
logomaker-feedstock Public
Forked from conda-forge/logomaker-feedstockA conda-smithy repository for logomaker.
BSD 3-Clause "New" or "Revised" License UpdatedFeb 3, 2025 -
mtenn Public
Forked from choderalab/mtennModular Training and Evaluation of Neural Networks
Python MIT License UpdatedFeb 3, 2025 -
molfeat-feedstock Public
Forked from conda-forge/molfeat-feedstockA conda-smithy repository for molfeat.
BSD 3-Clause "New" or "Revised" License UpdatedJan 29, 2025 -
asapdiscovery-feedstock Public
Forked from conda-forge/asapdiscovery-feedstockA conda-smithy repository for asapdiscovery.
Shell BSD 3-Clause "New" or "Revised" License UpdatedJan 20, 2025 -
chai-lab Public
Forked from chaidiscovery/chai-labChai-1, SOTA model for biomolecular structure prediction
Python Apache License 2.0 UpdatedDec 5, 2024 -
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polaris-feedstock Public
Forked from conda-forge/polaris-feedstockA conda-smithy repository for polaris.
BSD 3-Clause "New" or "Revised" License UpdatedDec 3, 2024