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Publikováno v:
Journal of Computational Chemistry. 43:1880-1886
Conformer-RL is an open-source Python package for applying deep reinforcement learning (RL) to the task of generating a diverse set of low-energy conformations for a single molecule. The library features a simple interface to train a deep RL conforme
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::08268bd960c60b4bf635f0c6e47f1fd4
https://doi.org/10.1002/jcc.26984
https://doi.org/10.1002/jcc.26984
