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  1. Neural Network Force Field based on PyTorch

    Jupyter Notebook 70 10

  2. Code for performing adversarial attacks on atomistic systems using NN potentials

    Python 14 2

  3. Library to dock molecules in crystal structures, including nanoporous materials

    Python 2 2

  4. Python interface for the General Utility Lattice Program (GULP)

    PLSQL 1 1

  5. Data for the article "Benchmarking binding energy calculations for organic structure-directing agents in pure-silica zeolites"

    Jupyter Notebook 1

  6. Code for: Ab initio control of zeolite phase competition and intergrowth using high-throughput simulations

    Jupyter Notebook 4 3

416 contributions in the last year

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

Contribution activity

May 2022

Created 1 commit in 1 repository

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