Metadata-Version: 2.4
Name: acemd
Version: 4.0.18
Summary: ACEMD is the next generation molecular dynamic simulation software
Author-email: Acellera <info@acellera.com>
Project-URL: Homepage, https://github.com/Acellera/acemd
Project-URL: Bug Tracker, https://github.com/Acellera/acemd/issues
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: POSIX :: Linux
Requires-Python: >=3.9
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: moleculekit>=1.9.35
Requires-Dist: pyyaml
Requires-Dist: natsort
Requires-Dist: requests
Provides-Extra: cpu
Requires-Dist: openmm; extra == "cpu"
Provides-Extra: cu11
Requires-Dist: openmm-unofficial-cu11; extra == "cu11"
Provides-Extra: cu12
Requires-Dist: OpenMM[cuda12]; extra == "cu12"
Requires-Dist: OpenMM-CUDA-12; extra == "cu12"
Provides-Extra: nnp-cpu
Requires-Dist: openmm-unofficial-cpu; extra == "nnp-cpu"
Requires-Dist: openmm-torch-unofficial-cpu; extra == "nnp-cpu"
Requires-Dist: torchmd-net; extra == "nnp-cpu"
Requires-Dist: torch>=2.8; extra == "nnp-cpu"
Requires-Dist: torchani; extra == "nnp-cpu"
Requires-Dist: huggingface_hub; extra == "nnp-cpu"
Provides-Extra: nnp-cu11
Requires-Dist: openmm-unofficial-cu11; extra == "nnp-cu11"
Requires-Dist: openmm-torch-unofficial-cu11; extra == "nnp-cu11"
Requires-Dist: torchmd-net; extra == "nnp-cu11"
Requires-Dist: torch; extra == "nnp-cu11"
Requires-Dist: torchani; extra == "nnp-cu11"
Requires-Dist: huggingface_hub; extra == "nnp-cu11"
Provides-Extra: nnp-cu12
Requires-Dist: OpenMM[cuda12]; extra == "nnp-cu12"
Requires-Dist: OpenMM-CUDA-12; extra == "nnp-cu12"
Requires-Dist: openmmtorch[cuda12]; extra == "nnp-cu12"
Requires-Dist: OpenMM-Torch-CUDA-12; extra == "nnp-cu12"
Requires-Dist: torchmd-net; extra == "nnp-cu12"
Requires-Dist: torch<2.10,>=2.8; extra == "nnp-cu12"
Requires-Dist: torchani; extra == "nnp-cu12"
Requires-Dist: huggingface_hub; extra == "nnp-cu12"
Requires-Dist: nvidia-cudnn-cu12; extra == "nnp-cu12"
Requires-Dist: nvidia-cusparse-cu12; extra == "nnp-cu12"
Requires-Dist: nvidia-cusparselt-cu12; extra == "nnp-cu12"
Requires-Dist: nvidia-cublas-cu12; extra == "nnp-cu12"
Dynamic: license-file

# ACEMD

ACEMD: Molecular dynamics simulation software
