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Open Molecular Software Foundation
- Iowa City, IA
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12:34
(UTC -05:00) - mattthompson.dev
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tutorials-with-interchange Public
Using Interchange in existing engine tutorials
Shell MIT License UpdatedSep 18, 2024 -
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openff-qcsubmit-feedstock Public
Forked from conda-forge/openff-qcsubmit-feedstockA conda-smithy repository for openff-qcsubmit.
BSD 3-Clause "New" or "Revised" License UpdatedSep 16, 2024 -
openff-nagl-models-feedstock Public
Forked from conda-forge/openff-nagl-models-feedstockA conda-smithy repository for openff-nagl-models.
BSD 3-Clause "New" or "Revised" License UpdatedSep 12, 2024 -
openff-evaluator-feedstock Public
Forked from conda-forge/openff-evaluator-feedstockA conda-smithy repository for openff-evaluator.
Shell BSD 3-Clause "New" or "Revised" License UpdatedSep 12, 2024 -
openff-forcefields-feedstock Public
Forked from conda-forge/openff-forcefields-feedstockA conda-smithy repository for openff-forcefields.
BSD 3-Clause "New" or "Revised" License UpdatedSep 12, 2024 -
foyer Public
Forked from mosdef-hub/foyerA package for atom-typing as well as applying and disseminating forcefields
Python MIT License UpdatedAug 30, 2024 -
openff-interchange-feedstock Public
Forked from conda-forge/openff-interchange-feedstockA conda-smithy repository for openff-interchange.
BSD 3-Clause "New" or "Revised" License UpdatedAug 28, 2024 -
openff-toolkit-feedstock Public
Forked from conda-forge/openff-toolkit-feedstockA conda-smithy repository for openff-toolkit.
BSD 3-Clause "New" or "Revised" License UpdatedAug 27, 2024 -
forcebalance Public
Forked from leeping/forcebalanceSystematic force field optimization.
Python Other UpdatedAug 27, 2024 -
openfe Public
Forked from OpenFreeEnergy/openfeThe Open Free Energy toolkit
Python MIT License UpdatedAug 22, 2024 -
gufe Public
Forked from OpenFreeEnergy/gufegrand unified free energy by OpenFE
Python MIT License UpdatedAug 22, 2024 -
pydantic-feedstock Public
Forked from conda-forge/pydantic-feedstockA conda-smithy repository for pydantic.
BSD 3-Clause "New" or "Revised" License UpdatedAug 5, 2024 -
de-forcefields-feedstock Public
Forked from conda-forge/de-forcefields-feedstockA conda-smithy repository for de-forcefields.
BSD 3-Clause "New" or "Revised" License UpdatedAug 1, 2024 -
alchemiscale-feedstock Public
Forked from conda-forge/alchemiscale-feedstockA conda-smithy repository for alchemiscale.
Shell BSD 3-Clause "New" or "Revised" License UpdatedJul 30, 2024 -
ambertools-feedstock Public
Forked from conda-forge/ambertools-feedstockA conda-smithy repository for ambertools.
Shell BSD 3-Clause "New" or "Revised" License UpdatedJul 24, 2024 -
conda-forge-repodata-patches-feedstock Public
Forked from conda-forge/conda-forge-repodata-patches-feedstockA conda-smithy repository for conda-forge-repodata-patches.
Python BSD 3-Clause "New" or "Revised" License UpdatedJul 24, 2024 -
openmm-feedstock Public
Forked from conda-forge/openmm-feedstockA conda-smithy repository for openmm.
Shell BSD 3-Clause "New" or "Revised" License UpdatedJul 16, 2024 -
DASH-tree Public
Forked from rinikerlab/DASH-treePartial Charge assignment for Molecular Dynamics
Python MIT License UpdatedJun 10, 2024 -
mdtraj-feedstock Public
Forked from conda-forge/mdtraj-feedstockA conda-smithy repository for mdtraj.
Shell BSD 3-Clause "New" or "Revised" License UpdatedMay 30, 2024 -
openfe_skunkworks Public
Forked from OpenFreeEnergy/openfe_skunkworksexperimental toybox
Python MIT License UpdatedMay 28, 2024 -
gromacs-feedstock Public
Forked from conda-forge/gromacs-feedstockA conda-smithy repository for gromacs.
Shell BSD 3-Clause "New" or "Revised" License UpdatedMay 8, 2024 -
openmmforcefields-feedstock Public
Forked from conda-forge/openmmforcefields-feedstockA conda-smithy repository for openmmforcefields.
BSD 3-Clause "New" or "Revised" License UpdatedMay 6, 2024 -
openmmforcefields Public
Forked from openmm/openmmforcefieldsCHARMM and AMBER forcefields for OpenMM (with small molecule support)
Python Other UpdatedMay 3, 2024 -
openmm Public
Forked from openmm/openmmOpenMM is a toolkit for molecular simulation using high performance GPU code.
C++ UpdatedMay 2, 2024 -
QCFractal Public
Forked from MolSSI/QCFractalA distributed compute and database platform for quantum chemistry.
Python BSD 3-Clause "New" or "Revised" License UpdatedMay 1, 2024 -
partial_charge_experiments Public
Forked from IAlibay/partial_charge_experimentsA repository for experimental tests
Python MIT License UpdatedApr 26, 2024 -
gha-sandbox Public
Sandbox for experiments with GitHub Actions
Python MIT License UpdatedApr 23, 2024 -
geometric-feedstock Public
Forked from conda-forge/geometric-feedstockA conda-smithy repository for geometric.
Shell BSD 3-Clause "New" or "Revised" License UpdatedApr 4, 2024