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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 -
example_commit_workflow Public
Example minimal repo that runs a script and commits result to the repository
Python MIT License UpdatedJan 16, 2025 -
mdanalysis Public
Forked from MDAnalysis/mdanalysisMDAnalysis is a Python library to analyze molecular dynamics trajectories.
Python Other UpdatedJan 6, 2025 -
distopia Public
Forked from MDAnalysis/distopiatrying out SSE instructions for faster distance calculations
C++ MIT License UpdatedJan 2, 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 -
MDAnalysis.github.io Public
Forked from MDAnalysis/MDAnalysis.github.ioMDAnalysis home page mdanalysis.org as GitHub pages.
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alchemiscale Public
Forked from OpenFreeEnergy/alchemiscaleprotein-ligand alchemical free energy calculations via Folding@Home
Python MIT License UpdatedOct 28, 2024 -
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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 21, 2024 -
mtenn-feedstock Public
Forked from conda-forge/mtenn-feedstockA conda-smithy repository for mtenn.
BSD 3-Clause "New" or "Revised" License UpdatedOct 15, 2024 -
anything-goes Public
Forked from openforcefield/anything-goesA repo for anything users/developers find interesting and want to share
Jupyter Notebook MIT License UpdatedOct 13, 2024 -
openff-bespokefit Public
Forked from openforcefield/openff-bespokefitAutomated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.
Python MIT License UpdatedOct 11, 2024 -
mtenn Public
Forked from choderalab/mtennModular Training and Evaluation of Neural Networks
Python MIT License UpdatedOct 10, 2024 -
polaris Public
Forked from polaris-hub/polarisFoster the development of impactful AI models in drug discovery.
Python Apache License 2.0 UpdatedOct 8, 2024 -
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openfe Public
Forked from OpenFreeEnergy/openfeThe Open Free Energy toolkit
Python MIT License UpdatedSep 16, 2024 -
conda-forge-contribution Public template
Forked from jan-janssen/conda-forge-contributionMy contributions to the conda-forge community
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lightweight-registration Public
Forked from rinikerlab/lightweight-registrationJupyter Notebook MIT License UpdatedAug 26, 2024 -
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fhb-assistant Public
Forked from robase/fhb-assistantA RAG based LLM assistant for australian first home buyers
TypeScript MIT License UpdatedAug 1, 2024 -
pygifsicle Public
Forked from LucaCappelletti94/pygifsiclePython package wrapping the gifsicle library for editing and optimizing gifs.
Python MIT License UpdatedJul 8, 2024 -
pygifsicle-feedstock Public
Forked from conda-forge/pygifsicle-feedstockA conda-smithy repository for pygifsicle.
BSD 3-Clause "New" or "Revised" License UpdatedJul 7, 2024 -
choppa-feedstock Public
Forked from conda-forge/choppa-feedstockA conda-smithy repository for choppa.
BSD 3-Clause "New" or "Revised" License UpdatedJul 3, 2024 -
solvation-analysis Public
Forked from MDAnalysis/solvation-analysisA set of functions and analysis classes for solvation structure analysis
Python GNU General Public License v3.0 UpdatedJul 3, 2024 -
dgl-feedstock Public
Forked from conda-forge/dgl-feedstockA conda-smithy repository for dgl.
Shell BSD 3-Clause "New" or "Revised" License UpdatedJun 19, 2024 -
staged-recipes Public
Forked from conda-forge/staged-recipesA place to submit conda recipes before they become fully fledged conda-forge feedstocks
Python BSD 3-Clause "New" or "Revised" License UpdatedJun 19, 2024 -
minimal_molview Public
Render PDB files to viewable HTML with 3DMol