├── .gitignore ├── ConformerGenerator.py ├── LICENSE ├── README.md ├── cpcm_radii.inp └── input_parsers.py /.gitignore: -------------------------------------------------------------------------------- 1 | __pycache__ 2 | .vscode -------------------------------------------------------------------------------- /ConformerGenerator.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/TUHH-TVT/openCOSMO-RS_conformer_pipeline/HEAD/ConformerGenerator.py -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/TUHH-TVT/openCOSMO-RS_conformer_pipeline/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/TUHH-TVT/openCOSMO-RS_conformer_pipeline/HEAD/README.md -------------------------------------------------------------------------------- /cpcm_radii.inp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/TUHH-TVT/openCOSMO-RS_conformer_pipeline/HEAD/cpcm_radii.inp -------------------------------------------------------------------------------- /input_parsers.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/TUHH-TVT/openCOSMO-RS_conformer_pipeline/HEAD/input_parsers.py --------------------------------------------------------------------------------