{"library":"torch-dftd","type":"library","category":null,"description":"torch-dftd is a Python library providing a PyTorch implementation of the DFT-D2 and DFT-D3 dispersion correction models for quantum chemistry calculations. It leverages PyTorch's automatic differentiation capabilities to efficiently compute energies, forces, and virials. The library is currently at version 0.5.3, released on March 11, 2026. While it has seen recent updates, its GitHub repository indicates that it is \"not actively maintained\".","language":"python","status":"maintenance","version":"0.5.3","tags":["pytorch","dftd","quantum chemistry","dispersion correction","ase","computational chemistry","autodiff"],"last_verified":"Mon May 25","install":[{"cmd":"pip install torch-dftd","imports":["from torch_dftd.torch_dftd3_calculator import TorchDFTD3Calculator","from torch_dftd.torch_dftd2_calculator import TorchDFTD2Calculator"]}],"homepage":null,"github":null,"docs":null,"changelog":null,"pypi":"https://pypi.org/project/torch-dftd/","npm":null,"openapi_spec":null,"status_page":null,"smithery":null,"compatibility":{"summary":{"python_range":"3.10–3.9","success_rate":50,"avg_install_s":29.9,"avg_import_s":null,"wheel_type":"sdist"},"url":"https://checklist.day/v1/registry/torch-dftd/compatibility"}}