Stefan Doerr

moleculekit

Last released on Jan 8, 2021

A molecule reading/writing and manipulation package.

jobqueues

Last released on Dec 18, 2020

Wrappers for various queueing systems in python.

acellera-htmd

Last released on Dec 16, 2020

High throughput molecular dynamics (HTMD)

torchmd

Last released on Oct 22, 2020

TorchMD. Molecular dynamics with pytorch

torchmd-cg

Last released on Oct 14, 2020

TorchMD-CG. Coarse Grained molecular dynamics with pytorch

protocolinterface

Last released on Oct 23, 2019

ProtocolInterface: A class to make python classes validate arguments.