proteneer

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Cambridge, MA

Pinned Repositories

jax
Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
Language:Python30.1k 334 5.6k2.8k
khan
Language:Python11 5 346
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Language:C++1 2 30
terran
Super-fast high dimensional clustering algorithm
Language:C++7 7 131
timemachine
Differentiate all the things!
Language:Python138 14 22617

proteneer's Repositories

proteneer/timemachine
Differentiate all the things!
Language:Python138 14 22617
proteneer/khan
Language:Python11 5 346
proteneer/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Language:C++1 2 30
proteneer/bgl
Language:Python01
proteneer/cayley
An open-source graph database
Language:Go2 0
proteneer/deepchem
Deep-learning models for Drug Discovery and Quantum Chemistry
Language:Python2 0
proteneer/DiffNet
Language:Jupyter Notebook1 0
proteneer/enzymd
2 0
proteneer/Enzyme
High-performance automatic differentiation of LLVM.
Language:C++1 0
proteneer/extending-jax
Extending JAX with custom C++ and CUDA code
Language:Python1 0
proteneer/fep-benchmark
Benchmark set for relative free energy calculations.
2 0
proteneer/goplay
Language:Go2 0
proteneer/grpc_test
Language:Go2 0
proteneer/jax
Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
Language:Python2 01
proteneer/ldap
Basic LDAP v3 functionality for the GO programming language.
Language:Go2 0
proteneer/mdtraj
Molecular Dynamics Trajectory and File IO
Language:C2 0
proteneer/memtestCL
OpenCL memory tester for GPUs
Language:C++2 0
proteneer/memtestG80
CUDA-based memory tester for NVIDIA GPUs
Language:C++2 0
proteneer/molecules
dynamic molecules for HTML
Language:JavaScript3 0
proteneer/openforcefield
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Language:Jupyter Notebook2 01
proteneer/ptools
Language:Fortran2 0
proteneer/pybind11
Seamless operability between C++11 and Python
Language:C++1 0
proteneer/pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR)
Language:Python1 0
proteneer/rdkit
The official sources for the RDKit library
Language:C++2 0
proteneer/smolworld
smol world
1 0
proteneer/sqlx
general purpose extensions to golang's database/sql
Language:Go2 0
proteneer/swig_example
Language:C++2 0
proteneer/swig_runme
Calling package for swig wrappers
Language:Go2 0
proteneer/tensorflow
An Open Source Machine Learning Framework for Everyone
Language:C++2 0
proteneer/test_repo_permission
2 0