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lomap2-feedstock Public
Forked from conda-forge/lomap2-feedstockA conda-smithy repository for lomap2.
BSD 3-Clause "New" or "Revised" License UpdatedApr 18, 2025 -
feflow-feedstock Public
Forked from conda-forge/feflow-feedstockA conda-smithy repository for feflow.
BSD 3-Clause "New" or "Revised" License UpdatedApr 17, 2025 -
openff-pablo Public
Forked from openforcefield/openff-pabloNew, independent implementation of `Topology.from_pdb`
Python MIT License UpdatedApr 4, 2025 -
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cookiecutter-cms Public
Forked from MolSSI/cookiecutter-cmsPython-centric Cookiecutter for Molecular Computational Chemistry Packages
Python MIT License UpdatedMar 28, 2025 -
openfold-website Public
Forked from OpenFold-io/openfold-websiteOpenFold website source code.
HTML UpdatedMar 13, 2025 -
alchemiscale-feedstock Public
Forked from conda-forge/alchemiscale-feedstockA conda-smithy repository for alchemiscale.
Shell BSD 3-Clause "New" or "Revised" License UpdatedMar 12, 2025 -
stratocaster-feedstock Public
Forked from conda-forge/stratocaster-feedstockA conda-smithy repository for stratocaster.
BSD 3-Clause "New" or "Revised" License UpdatedMar 12, 2025 -
kartograf-feedstock Public
Forked from conda-forge/kartograf-feedstockA conda-smithy repository for kartograf.
BSD 3-Clause "New" or "Revised" License UpdatedMar 11, 2025 -
asapdiscovery-feedstock Public
Forked from conda-forge/asapdiscovery-feedstockA conda-smithy repository for asapdiscovery.
Shell BSD 3-Clause "New" or "Revised" License UpdatedMar 11, 2025 -
espaloma_charge-feedstock Public
Forked from conda-forge/espaloma_charge-feedstockA conda-smithy repository for espaloma_charge.
BSD 3-Clause "New" or "Revised" License UpdatedMar 11, 2025 -
konnektor-feedstock Public
Forked from conda-forge/konnektor-feedstockA conda-smithy repository for konnektor.
BSD 3-Clause "New" or "Revised" License UpdatedMar 4, 2025 -
cython-feedstock Public
Forked from conda-forge/cython-feedstockA conda-smithy repository for cython.
Python BSD 3-Clause "New" or "Revised" License UpdatedFeb 25, 2025 -
mdtraj Public
Forked from mdtraj/mdtrajAn open library for the analysis of molecular dynamics trajectories
Python GNU Lesser General Public License v2.1 UpdatedFeb 25, 2025 -
pedantic-feedstock Public
Forked from conda-forge/pedantic-feedstockA conda-smithy repository for pedantic.
BSD 3-Clause "New" or "Revised" License UpdatedFeb 20, 2025 -
conda-forge.github.io Public
Forked from conda-forge/conda-forge.github.ioThe conda-forge website.
Python BSD 3-Clause "New" or "Revised" License UpdatedFeb 7, 2025 -
perses-feedstock Public
Forked from conda-forge/perses-feedstockA conda-smithy repository for perses.
BSD 3-Clause "New" or "Revised" License UpdatedJan 30, 2025 -
QCEngine Public
Forked from MolSSI/QCEngineQuantum chemistry program executor and IO standardizer (QCSchema).
Python BSD 3-Clause "New" or "Revised" License UpdatedOct 24, 2024 -
distopia-feedstock Public
Forked from conda-forge/distopia-feedstockA conda-smithy repository for distopia.
BSD 3-Clause "New" or "Revised" License UpdatedOct 16, 2024 -
nbsphinx-link-feedstock Public
Forked from conda-forge/nbsphinx-link-feedstockA conda-smithy repository for nbsphinx-link.
BSD 3-Clause "New" or "Revised" License UpdatedOct 10, 2024 -
scikit-mol Public
Forked from EBjerrum/scikit-molscikit-learn classes for molecular vectorization using RDKit
Jupyter Notebook GNU Lesser General Public License v3.0 UpdatedSep 26, 2024 -
scikit-mol-feedstock Public
Forked from conda-forge/scikit-mol-feedstockA conda-smithy repository for scikit-mol.
BSD 3-Clause "New" or "Revised" License UpdatedSep 19, 2024 -
openmm-feedstock Public
Forked from conda-forge/openmm-feedstockA conda-smithy repository for openmm.
Shell BSD 3-Clause "New" or "Revised" License UpdatedSep 12, 2024 -
packmol Public
Forked from m3g/packmolPackmol - Initial configurations for molecular dynamics simulations
Fortran MIT License UpdatedAug 14, 2024 -
duperemove Public
Forked from markfasheh/duperemoveTools for deduping file systems
C GNU General Public License v2.0 UpdatedAug 9, 2024 -
pyupgrade Public
Forked from asottile/pyupgradeA tool (and pre-commit hook) to automatically upgrade syntax for newer versions of the language.
Python MIT License UpdatedAug 6, 2024 -
openff-toolkit Public
Forked from openforcefield/openff-toolkitThe Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Python MIT License UpdatedJul 26, 2024 -
dgl-feedstock Public
Forked from conda-forge/dgl-feedstockA conda-smithy repository for dgl.
Shell BSD 3-Clause "New" or "Revised" License UpdatedJul 19, 2024 -
openmm-wheels Public
Forked from openmm/openmm-wheelsShell BSD 3-Clause "New" or "Revised" License UpdatedJul 11, 2024 -
kinodata-3D-affinity-prediction Public
Forked from volkamerlab/kinodata-3D-affinity-predictionDL models to test added value of using generated complex data for affinity prediction
Python MIT License UpdatedJul 9, 2024
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