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busy writing proposals


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  1. ANI-1 neural net potential with python interface (ASE)

    Python 139 44

  2. Deep Reinforcement Learning for de-novo Drug Design

    Jupyter Notebook 189 88

  3. A data set of 20 million calculated off-equilibrium conformations for organic molecules

    Python 50 13

  4. COMP6 Benchmark dataset for ML potentials

    23 2

9 contributions in the last year

Dec Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Mon Wed Fri

Contribution activity

July - November 2020

isayev has no activity yet for this period.

June 2020

Created 3 commits in 2 repositories
Reviewed 1 pull request in 1 repository
aiqm/torchani 1 pull request

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