aamini/chemprop aamini/chemprop

  • Stars
    star
    111
  • Rank 314,510 (Top 7 %)
  • Language
    Python
  • License
    MIT License
  • Created over 3 years ago
  • Updated over 3 years ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
aamini/chemprop
github

aamini

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.

More Repositories

1

introtodeeplearning

Lab Materials for MIT 6.S191: Introduction to Deep Learning
Jupyter Notebook
7,169
star
2

evidential-deep-learning

Learn fast, scalable, and calibrated measures of uncertainty using neural networks!
Python
376
star
3

FastConv.jl

Fast Convolutions in Julia
Julia
43
star
4

TimeToContact.jl

Time to Contact implementation in Julia
Julia
4
star
5

getJacd

HTML
2
star
6

vista-web.github.io

HTML
2
star
7

aamini.github.io

CSS
1
star