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apollo

simple redis objects and relations

archon

Hehe

bgl

cayley

An open-source graph database

celery

MOVED TO: celery/celery

deepchem

Deep-learning models for Drug Discovery and Quantum Chemistry

diffnet

enzymd

enzyme

High-performance automatic differentiation of LLVM.

extending-jax

Extending JAX with custom C++ and CUDA code

fep-benchmark

Benchmark set for relative free energy calculations.

goplay

grpc_test

jax

Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more

khan

ldap

Basic LDAP v3 functionality for the GO programming language.

mdtraj

Molecular Dynamics Trajectory and File IO

memtestcl

OpenCL memory tester for GPUs

memtestg80

CUDA-based memory tester for NVIDIA GPUs

molecules

dynamic molecules for HTML

node-login

A template for quickly building login systems on top of Node.js & MongoDb

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

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

ptools

pybind11

Seamless operability between C++11 and Python

pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR)

rdkit

The official sources for the RDKit library

smolworld

smol world

sphinx-websupport-demo-for-heroku

sqlx

general purpose extensions to golang's database/sql