niko97320

Nicolas Martin's starred repositories

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

Language:C++1437 82 2690

A deep learning framework for molecular docking

Language:C++Apache-2.0579 30 201

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

Language:PythonMIT235 38 358

Computational Chemistry Workflows

Language:Python51 1 47

Julia utilities for reading in and analyzing Gromacs simulation results

Language:JuliaGPL-2.015 3 4

Replica-exchange tools for NAMD

Language:PythonBSD-2-Clause7 20