Projects: pypi: chemprop

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

Molecular Property Prediction with Message Passing Neural Networks
13 versions
Latest release: almost 3 years ago
209,666 downloads last month

Enhanced Analysis
Educational Contributors: hwpang@mit.edu deg711@g.harvard.edu yangk@mit.edu kpg@mit.edu scli@mit.edu jonzheng@mit.edu fhvermei@mit.edu xiaorui@mit.edu donera@mit.edu joelmanu@mit.edu yanfeig@mit.edu oscarwu@mit.edu wengong@rosetta5.csail.mit.edu yangk@31-39-59.wireless.csail.mit.edu yangk@31-35-182.wireless.csail.mit.edu esther@mdy.univie.ac.at mjliu@mit.edu actam@rosetta10.csail.mit.edu yangk@31-33-76.wireless.csail.mit.edu yangk@31-36-24.wireless.csail.mit.edu swansonk@rosetta11.csail.mit.edu yangk@dhcp-18-40-65-165.dyn.mit.edu yangk@30-10-111.wireless.csail.mit.edu yangk@30-10-100.wireless.csail.mit.edu yangk@31-35-90.wireless.csail.mit.edu yangk@31-39-51.wireless.csail.mit.edu yangk@dhcp-18-30-125-141.dyn.mit.edu yangk@dhcp-18-40-122-81.dyn.mit.edu yangk@dhcp-18-40-7-157.dyn.mit.edu yangk@31-36-224.wireless.csail.mit.edu mazuze@post.bgu.ac.il yangk@dhcp-18-40-2-185.dyn.mit.edu yangk@31-33-193.wireless.csail.mit.edu yangk@30-9-42.wireless.csail.mit.edu cbilod@mit.edu
Repository Activity:
Repository Owner: chemprop (organization)
Home of the official chemprop project
README Analysis: DOI Found ArXiv Preprint
Science Score: 100/100
Starting Score: 100 points
Bonuses:
  • +700 Educational commit emails
    35 contributors with educational email addresses
  • +32 Science terms in README
    16 scientific terms found in README
  • +10 DOI references
    1 DOI references found in README
  • +18 Academic links
    3 academic links found in README
Penalties:
  • -10 PyPI ecosystem
    General-purpose ecosystem

Very Likely Science (100)

Papers Mentioning chemprop 3

10.1007/s10822-021-00405-6
Multitask machine learning models for predicting lipophilicity (logP) in the SAMPL7 challenge
Cited by: 9
Author(s): Eelke B. Lenselink, Pieter F. W. Stouten
Software Mentions: 4
Published: almost 5 years ago
10.1186/s13065-021-00737-2
De novo design and bioactivity prediction of SARS-CoV-2 main protease inhibitors using recurrent neural network-based transfer learning
Cited by: 43
Author(s): Marcos V.S. Santana, Floriano Paes Silva
Software Mentions: 1
Published: over 5 years ago
10.1186/s13321-021-00533-z
MLSolvA: solvation free energy prediction from pairwise atomistic interactions by machine learning
Cited by: 13
Author(s): Hyuntae Lim, YounJoon Jung
Software Mentions: 1
Published: almost 5 years ago