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timemachine Public
Differentiate all the things!
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Enzyme Public
Forked from EnzymeAD/EnzymeHigh-performance automatic differentiation of LLVM.
C++ Other UpdatedJan 20, 2021 -
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extending-jax Public
Forked from dfm/extending-jaxExtending JAX with custom C++ and CUDA code
Python MIT License UpdatedJan 11, 2021 -
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fep-benchmark Public
Forked from MCompChem/fep-benchmarkBenchmark set for relative free energy calculations.
MIT License UpdatedJul 20, 2020 -
pymbar Public
Forked from choderalab/pymbarPython implementation of the multistate Bennett acceptance ratio (MBAR)
Python MIT License UpdatedJun 30, 2020 -
pybind11 Public
Forked from pybind/pybind11Seamless operability between C++11 and Python
C++ Other UpdatedJan 13, 2020 -
rdkit Public
Forked from rdkit/rdkitThe official sources for the RDKit library
C++ Other UpdatedSep 27, 2019 -
jax Public
Forked from jax-ml/jaxComposable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
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openforcefield 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
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tensorflow Public
Forked from tensorflow/tensorflowAn Open Source Machine Learning Framework for Everyone
C++ Apache License 2.0 UpdatedFeb 1, 2019 -
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openmm Public
Forked from openmm/openmmOpenMM is a toolkit for molecular simulation using high performance GPU code.
C++ UpdatedJan 22, 2019 -
ptools Public
Forked from ptools/ptools-legacyFortran GNU General Public License v3.0 UpdatedNov 20, 2018 -
deepchem Public
Forked from deepchem/deepchemDeep-learning models for Drug Discovery and Quantum Chemistry
Python Other UpdatedDec 20, 2017 -
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sqlx Public
Forked from jmoiron/sqlxgeneral purpose extensions to golang's database/sql
Go MIT License UpdatedFeb 23, 2016 -
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cayley Public
Forked from cayleygraph/cayleyAn open-source graph database
Go Apache License 2.0 UpdatedApr 5, 2015 -
molecules Public
Forked from chemplexity/moleculesdynamic molecules for HTML
JavaScript MIT License UpdatedDec 24, 2014 -
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ldap Public
Forked from mmitton/ldapBasic LDAP v3 functionality for the GO programming language.
Go BSD 3-Clause "New" or "Revised" License UpdatedNov 20, 2014 -
mdtraj Public
Forked from mdtraj/mdtrajMolecular Dynamics Trajectory and File IO
C GNU Lesser General Public License v2.1 UpdatedOct 14, 2014 -
memtestCL Public
Forked from ihaque/memtestCLOpenCL memory tester for GPUs
C++ Other UpdatedAug 4, 2014 -
memtestG80 Public
Forked from ihaque/memtestG80CUDA-based memory tester for NVIDIA GPUs
C++ Other UpdatedAug 4, 2014
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