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A directory of tools, AI models, datasets, and research resources for biotech, bioinformatics, and other scientific fields. Aggregated from curated GitHub awesome-lists, HuggingFace, bio.tools, Bioconductor, and more.
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High-performance, GPU-native molecular dynamics package supporting empirical potentials and neuroevolution potentials (NEPs) with a built-in `nep` training executable, achieving DFT-level accuracy at orders-of-magnitude lower training cost than competing MLIPs; widely adopted for heat transport (NEP/HNEP), lattice dynamics, mechanical properties, shock compression, and path-integral MD, with CUDA and ROCm support and extensive tutorials (849+ stars, GPL-3.0, Comput. Phys. Commun. 2017 / Phys. Rev. B 2021, actively maintained)