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
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 challengeCited 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 learningCited 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 learningCited by: 13
Author(s): Hyuntae Lim, YounJoon Jung
Software Mentions: 1
Published: almost 5 years ago