Lists (6)
awesome-3d/2d-viewers
awesome list of 2d and 3d protein structures viewer tools, scripts31 repositories
Awesome-Protein-Design
A curated collection of state-of-the-art resources for computational protein design, including Generative AI, Deep Learning, and physics-based tools.155 repositories
awesome-TCR
A curated collection of state-of-the-art T-cell receptor (TCR) tools and models published exclusively in Nature, Science, Cell and Preprints45 repositories
Linux-stuff
list of some linux tools21 repositories
OPENMM/ML-Forcefields
ML-Frocefields14 repositories
small-molecule-generative-AI
collection of generative models for small molecules, covering Diffusion Models, Geometric Deep Learning, and Flow-based methods for de novo small mol design33 repositories
Stars
3
stars
written in Cuda
Clear filter
A high-performance, GPU-accelerated library for key computational chemistry tasks, such as molecular similarity, conformer generation, and geometry relaxation.
GTalign, high-performance protein structure alignment, superposition and search