PyPI project
acauto3d
3 indexed releases ยท newest sdist 1.0.1 with 22 indexed members
Files in 1.0.1 AcAuto3D-1.0.1.tar.gz
- AcAuto3D-1.0.1/src/Auto3D/ASE/__init__.py
- AcAuto3D-1.0.1/src/Auto3D/ASE/geometry.py
- AcAuto3D-1.0.1/src/Auto3D/ASE/thermo.py
- AcAuto3D-1.0.1/src/Auto3D/SPE.py
- AcAuto3D-1.0.1/src/Auto3D/__init__.py
- AcAuto3D-1.0.1/src/Auto3D/auto3D.py
- AcAuto3D-1.0.1/src/Auto3D/batch_opt/ANI2xt_no_rep.py
- AcAuto3D-1.0.1/src/Auto3D/batch_opt/ANI2xt_rep.py
- AcAuto3D-1.0.1/src/Auto3D/batch_opt/__init__.py
- AcAuto3D-1.0.1/src/Auto3D/batch_opt/batchopt.py
- AcAuto3D-1.0.1/src/Auto3D/isomer_engine.py
- AcAuto3D-1.0.1/src/Auto3D/models/__init__.py
- AcAuto3D-1.0.1/src/Auto3D/ranking.py
- AcAuto3D-1.0.1/src/Auto3D/tautomer.py
- AcAuto3D-1.0.1/src/Auto3D/utils.py
- AcAuto3D-1.0.1/src/Auto3D/utils_file.py
- AcAuto3D-1.0.1/tests/test_SPE.py
- AcAuto3D-1.0.1/tests/test_auto3D.py
- AcAuto3D-1.0.1/tests/test_isomer_engine.py
- AcAuto3D-1.0.1/tests/test_tauto.py
- AcAuto3D-1.0.1/tests/test_thermo.py
- AcAuto3D-1.0.1/tests/test_utils.py