A high-performance C++ application for generating 3D point clouds from stereo camera images using GPU acceleration (CUDA for NVIDIA or HIP for AMD GPUs).

Solvation Structure and Thermodynamic Mapping

The modern C++ library for sequence analysis. Contains version 3 of the library and API docs.

OpenMM plugin to define forces with neural networks

Reduce - tool for adding and correcting hydrogens in PDB files

Library for reading and writing chemistry files

Protein Pocket Detection with Geometry Features and Hierarchy.

this fork addresses the 2023 HTTPS migration issue and completely ports the project to ESP8266

AutoDock Vina

A GitHub Action that inspects Visual Studio / Visual C++ environment variables (optionally converting to Cygwin or MSYS2 paths)

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

DeepVariant is an analysis pipeline that uses a deep neural network to call genetic variants from next-generation DNA sequencing data.

IQ-TREE software version 2: phylogenetics by maximum likelihood

Public development project of the LAMMPS MD software package

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

Development version of plumed 2

Oxford Nanopore's Basecaller

macromolecular crystallography library and utilities

The second version of the Kraken taxonomic sequence classification system

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python