lang-cpp

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

Reduce - tool for adding and correcting hydrogens in PDB files

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

OpenMM plugin to define forces with neural networks

Library for reading and writing chemistry files

Protein Pocket Detection with Geometry Features and Hierarchy.

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

Oxford Nanopore's Basecaller

Development version of plumed 2

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

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

Public development project of the LAMMPS MD software package

IQ-TREE software version 2: phylogenetics by maximum likelihood

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

AutoDock Vina

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

The second version of the Kraken taxonomic sequence classification system

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

GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementation of PocketVina