vLLM 是一个快速且易于使用的 LLM 推理和服务库

An open-source Python framework that integrates machine learning interatomic potentials (MLIPs) with a tailored batched optimization strategy

intel oneapi llvm project

batchASE enhances ASE’s optimizers—BFGS, BFGSLineSearch, LBFGS—with batch processing. It speeds up molecular dynamics simulations by enabling parallel batch computations.

Please refer to the project documentation for more information [https://docs.nvidia.com/cuda/cuequivariance/](https://docs.nvidia.com/cuda/cuequivariance/).

FastEq is a high-performance equivariant operator library that implements cuEquivariance’s core operators while fully supporting its API and interfaces.