richardjgowers
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rdkit Public
Forked from rdkit/rdkitThe official sources for the RDKit library
C++ Other UpdatedJan 3, 2025 -
zarrtraj Public
Forked from Becksteinlab/zarrtrajzarrtraj MDAKit for @MDAnalysis
Python GNU General Public License v3.0 UpdatedOct 30, 2024 -
BioSim-analysis-workshop Public
Forked from CCPBioSim/BioSim-analysis-workshopWorkshop on the preparation, execution, and analysis of protein molecular dynamics simulations
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openfe-feedstock Public
Forked from conda-forge/openfe-feedstockA conda-smithy repository for openfe.
BSD 3-Clause "New" or "Revised" License UpdatedApr 19, 2024 -
gufe-feedstock Public
Forked from conda-forge/gufe-feedstockA conda-smithy repository for gufe.
BSD 3-Clause "New" or "Revised" License UpdatedApr 19, 2024 -
kartograf-feedstock Public
Forked from conda-forge/kartograf-feedstockA conda-smithy repository for kartograf.
BSD 3-Clause "New" or "Revised" License UpdatedJan 25, 2024 -
lomap2-feedstock Public
Forked from conda-forge/lomap2-feedstockA conda-smithy repository for lomap2.
BSD 3-Clause "New" or "Revised" License UpdatedJan 24, 2024 -
openfe-analysis-feedstock Public
Forked from conda-forge/openfe-analysis-feedstockA conda-smithy repository for openfe-analysis.
BSD 3-Clause "New" or "Revised" License UpdatedNov 23, 2023 -
cinnabar-feedstock Public
Forked from conda-forge/cinnabar-feedstockA conda-smithy repository for cinnabar.
BSD 3-Clause "New" or "Revised" License UpdatedOct 24, 2023 -
pdbinf-feedstock Public
Forked from conda-forge/pdbinf-feedstockA conda-smithy repository for pdbinf.
BSD 3-Clause "New" or "Revised" License UpdatedSep 20, 2023 -
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openmm-mdanalysis-reporter Public
Forked from sef43/openmm-mdanalysis-reporterPython MIT License UpdatedMar 27, 2023 -
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 UpdatedFeb 9, 2023 -
gemmi Public
Forked from project-gemmi/gemmimacromolecular crystallography library and utilities
C++ Mozilla Public License 2.0 UpdatedDec 12, 2022 -
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MDAnalysis-coarsegraining Public
An attempt at making a special subtype of MDAnalysis.Universe which allows a mapping scheme to be applied on the fly to an atomistic trajectory.
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openff-interchange Public
Forked from openforcefield/openff-interchangeA project (and object) for storing, manipulating, and converting molecular mechanics data.
Python MIT License UpdatedDec 16, 2021 -
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openmoltools Public
Forked from choderalab/openmoltoolsAn open set of tools for automating tasks relating to small molecules
Python MIT License UpdatedOct 27, 2021 -
jose-docs Public
Forked from openjournals/jose-docsDocumentation for the Journal of Open Source Education
UpdatedMay 31, 2020 -
map4 Public
Forked from reymond-group/map4The MinHashed Atom Pair fingerprint of radius 2
CSS MIT License UpdatedApr 13, 2020 -
nglview Public
Forked from nglviewer/nglviewIPython widget to interactively view molecular structures and trajectories
Jupyter Notebook Other UpdatedOct 9, 2019 -
TeachOpenCADD Public
Forked from volkamerlab/teachopencaddTeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
Jupyter Notebook Creative Commons Attribution 4.0 International UpdatedSep 27, 2019 -
MDAnalysis_CIFReading Public
Reading cif files with MDAnalysis
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chemfiles Public
Forked from chemfiles/chemfilesLibrary for reading and writing chemistry files
C++ Other UpdatedJul 18, 2019 -
conda Public
Forked from conda/condaOS-agnostic, system-level binary package manager and ecosystem
Python Other UpdatedJul 5, 2019 -
scipy_proceedings Public
Forked from Becksteinlab/scipy_proceedingsTools used to generate the SciPy conference proceedings
Python Other UpdatedMay 23, 2019 -
asmjit Public
Forked from asmjit/asmjitComplete x86/x64 JIT and AOT Assembler for C++
C++ zlib License UpdatedMay 20, 2019 -
pyyaehmop Public
Forked from chapmanlab/pyyaehmopPython bindings to Yaehmop
Python BSD 2-Clause "Simplified" License UpdatedMay 13, 2019 -
fireworks Public
Forked from materialsproject/fireworksThe Fireworks Workflow Management Repo.
Python Other UpdatedMar 8, 2019