Conformer-RL: A deep reinforcement learning library for conformer generation

Runxuan Jiang, Tarun Gogineni, Joshua Kammeraad, Yifei He, Ambuj Tewari, Paul M. Zimmerman. Conformer-RL: A deep reinforcement learning library for conformer generation. Journal of Computational Chemistry, 43(27):1880-1886, 2022. [doi]

Authors

Runxuan Jiang

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Tarun Gogineni

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Joshua Kammeraad

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Yifei He

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Ambuj Tewari

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Paul M. Zimmerman

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