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alchemiscale-feedstock Public
Forked from conda-forge/alchemiscale-feedstockA conda-smithy repository for alchemiscale.
Shell BSD 3-Clause "New" or "Revised" License UpdatedApr 21, 2025 -
mamba Public
Forked from mamba-org/mambaThe Fast Cross-Platform Package Manager
C++ BSD 3-Clause "New" or "Revised" License UpdatedFeb 15, 2025 -
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hugo-theme-terminal Public
Forked from panr/hugo-theme-terminalA simple, retro theme for Hugo
CSS MIT License UpdatedSep 14, 2024 -
mtl_summer_school_2024 Public
Forked from valence-labs/mtl_summer_school_2024 -
bspwm-gnome Public
Forked from shizonic/bspwm-gnomeUse bspwm with GNOME Session integration.
Makefile MIT License UpdatedApr 15, 2024 -
openfe Public
Forked from OpenFreeEnergy/openfeThe Open Free Energy toolkit
Python MIT License UpdatedJun 9, 2023 -
openfe-ExampleNotebooks Public
Forked from OpenFreeEnergy/ExampleNotebooksNotebooks demonstrating how to do simple tasks related to free energy calculations.
Jupyter Notebook MIT License UpdatedApr 10, 2023 -
openfe-benchmarks Public
Forked from OpenFreeEnergy/openfe-benchmarksPython MIT License UpdatedFeb 8, 2023 -
grolt Public
Forked from eastlondoner/groltInteractive Development Console for Neo4j
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py2neo Public
Forked from sirmmo/py2neoPy2neo is a comprehensive Neo4j driver library and toolkit for Python.
Python Apache License 2.0 UpdatedNov 1, 2022 -
dotfiles Public
dotfiles for my ideal development environment
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openmmforcefields Public
Forked from openmm/openmmforcefieldsCHARMM and AMBER forcefields for OpenMM (with small molecule support)
Rich Text Format Other UpdatedAug 12, 2022 -
distributed Public
Forked from dask/distributedA library for distributed computation in Python
Python BSD 3-Clause "New" or "Revised" License UpdatedJul 17, 2022 -
torsiondrive Public
Forked from lpwgroup/torsiondriveDihedral scanner with wavefront propagation
Python Other UpdatedSep 10, 2021 -
openmm-feedstock Public
Forked from conda-forge/openmm-feedstockA conda-smithy repository for openmm.
Shell BSD 3-Clause "New" or "Revised" License UpdatedJul 21, 2021 -
qcfractal-feedstock Public
Forked from conda-forge/qcfractal-feedstockA conda-smithy repository for qcfractal.
Shell BSD 3-Clause "New" or "Revised" License UpdatedMar 16, 2021 -
fragmenter_data Public
Forked from choderalab/fragmenter_dataData for fragmenter
Jupyter Notebook MIT License UpdatedNov 13, 2020 -
wbointerpolation Public
Forked from MobleyLab/wbointerpolationAnalysis scripts for the development of wiberg bond order interpolated parameters in the Open Force Field.
Jupyter Notebook MIT License UpdatedNov 13, 2020 -
pint-feedstock Public
Forked from conda-forge/pint-feedstockA conda-smithy repository for pint.
BSD 3-Clause "New" or "Revised" License UpdatedSep 15, 2020 -
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 UpdatedAug 20, 2020 -
paprika-feedstock Public
Forked from conda-forge/paprika-feedstockA conda-smithy repository for paprika.
Shell BSD 3-Clause "New" or "Revised" License UpdatedAug 18, 2020 -
QCFractal Public
Forked from MolSSI/QCFractalA distributed compute and database platform for quantum chemistry.
Python BSD 3-Clause "New" or "Revised" License UpdatedAug 6, 2020 -
omnia-linux-anvil Public
Forked from omnia-md/omnia-linux-anvilExperimental version of conda-forge/linux-anvil to build openmm
Dockerfile UpdatedJun 24, 2020 -
leaving_academia Public
a talk on how to build a runway to industry for those wishing to leave academia
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conda-recipes Public
Forked from omnia-md/conda-recipesconda build recipes for the Omnia project
Python MIT License UpdatedApr 14, 2020 -
pelican-bluemoon Public
A theme for Pelican derived from the theme blueidea, which was inspired by the default theme notmyidea.
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