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Projects: pypi: TensorMol

https://packages.ecosyste.ms/registries/pypi.org/packages/TensorMol

TensorFlow+Molecules = TensorMol
1 version
Latest release: over 8 years ago
7 downloads last month

Enhanced Analysis
Educational Contributors: kyao@nd.edu dtoth1@nd.edu rykermcintyre@rykers-mbp.dhcp.nd.edu ryker@gigan.chem.nd.edu jherr1@nd.edu jherr1@garamon.crc.nd.edu
Repository Activity:
Repository Owner: John Parkhill (user)
Fmr. Prof. Theoretical Chemistry at University of Notre Dame. Beeper of boops. Academic
README Analysis: ArXiv Preprint
Science Score: 100/100
Starting Score: 100 points
Bonuses:
  • +120 Educational commit emails
    6 contributors with educational email addresses
  • +20 Academic repository owner
    Repository owned by academic institution
  • +16 Science terms in README
    8 scientific terms found in README
  • +6 Academic links
    1 academic links found in README
Penalties:
  • -10 PyPI ecosystem
    General-purpose ecosystem
  • -15 No science keywords
    No scientific terms found in keywords/classifiers
  • -10 No science terms in description
    No scientific terms found in description
Very Likely Science (100)

Papers Mentioning TensorMol 2

10.1007/s10822-020-00346-6
Machine learning-accelerated quantum mechanics-based atomistic simulations for industrial applications
Cited by: 22
Author(s): Tobias Morawietz, Nongnuch Artrith
Software Mentions: 2
Published: almost 6 years ago
10.3389/fchem.2021.692200
Automatically Constructed Neural Network Potentials for Molecular Dynamics Simulation of Zinc Proteins
Cited by: 8
Author(s): Mingyuan Xu, Tong Zhu
Software Mentions: 1
Published: about 5 years ago