No Description
| Uploaded | Wed Jan 12 13:54:13 2022 |
| md5 checksum | db0cbee3ae3d04d2e5c8040afc9f25fb |
| arch | x86_64 |
| build | py38_0 |
| depends | acemd3 >=3.3.0, ambertools >=20.15, anaconda-client >=1.8.0, ipython >=7.31.0, joblib >=1.1.0, jobqueues >=0.6.5, jupyter_console >=6.4.0, matplotlib >=3.2.2, mdtraj >=1.9.7, moleculekit >=0.9.12, natsort >=8.0.2, networkx >=2.5.1, nglview >=2.7.0, notebook >=6.4.6, numpy >=1.17, openbabel >=3.1.1, openmm >=7.7.0, openpyxl >=3.0.9, pandas >=1.1.2, pdb2pqr >=3.3.1, pint >=0.18, plumed2 >=2.3.3+htmd.4, propka >=3.4.0, protocolinterface >=0.3.0, psfgen >=1.6.9, pyemma >=2.5.10, python >=3.8,<3.9.0a0, python_abi 3.8.* *_cp38, rdkit >=2020.09.3, scikit-learn >=1.0.2, tqdm >=4.62.3, vina >=1.1.101 |
| machine | x86_64 |
| operatingsystem | linux |
| platform | linux |
| subdir | linux-64 |
| target-triplet | x86_64-any-linux |
| timestamp | 1641995425308 |