MDverse web scrapper 🔎🔧📄

Allan Lab website

Dockerfile for Gromacs wih GPU support and PLUMED plugin.

A deep learning package for many-body potential energy representation and molecular dynamics

JSON for Modern C++

a lightweight header-only C++17 library of numerical optimization methods for (un-)constrained nonlinear functions

Provide easy code formatting in Vim by integrating existing code formatters.

The MacPorts ports tree

LIBSVM -- A Library for Support Vector Machines

PINY cleanup and new feature integration.

The official repository for "Find RNA 3D" (FR3D), a suite of programs for searching RNA 3D structures.

Development version of plumed 2

Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.