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v1.0.0

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@runxuanjiang runxuanjiang released this 28 May 05:46
· 13 commits to master since this release
baa5fd1

First major release of conformer-rl. Includes interface for training agents on general molecules files and implementations of all components for reproducing results in "TorsionNet: A Reinforcement Learning Approach for Conformer Generation" paper.