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Uploaded Sun Oct 10 11:33:57 2021
md5 checksum e19f6a0a0b9046006fb3b00a9aadbb57
arch x86_64
build py38_0
depends acemd3 >=3.3.0, ambertools >=20.15, anaconda-client >=1.8.0, ffevaluation >=0.1.6, htmd-pdb2pqr >=2.1.1+htmd.14, ipython >=7.28.0, joblib >=1.1.0, jobqueues >=0.6.5, jupyter_console >=6.4.0, matplotlib >=3.4.3, mdtraj >=1.9.6, moleculekit >=0.5.8, natsort >=7.1.1, networkx >=2.6.3, nglview >=2.7.0, notebook >=6.4.4, numba >=0.54.1, numpy >=1.17, openbabel >=3.1.1, openmm >=7.6.0, openpyxl >=3.0.9, pandas >=1.1.2, pint >=0.17, plumed2 >=2.3.3+htmd.4, propka 3.1.8.*, protocolinterface >=0.3.0, psfgen >=1.6.9, pyemma >=2.5.9, python >=3.8,<3.9.0a0, python_abi 3.8.* *_cp38, rdkit >=2020.09.3, scikit-learn >=1.0, 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 1633865391884