n-yoshikawa/automatic-differentiation-SCF n-yoshikawa/automatic-differentiation-SCF

  • Stars
    star
    6
  • Rank 2,527,543 (Top 50 %)
  • Language
    Python
  • License
    MIT License
  • Created over 2 years ago
  • Updated 5 months ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
n-yoshikawa/automatic-differentiation-SCF
github

n-yoshikawa

Reviews

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

Repository Details

Source code for Automatic Differentiation for the Direct Minimization Approach to the Hartree-Fock Method

More Repositories

1

ob-fragment-generation

Jupyter Notebook
12
star
2

retrosynthesis_bot

Twitter retrosynthesis bot
Python
11
star
3

molecule-sanitizer

Sanitize It Yourself
HTML
4
star
4

genetic-blockbuster

Python
1
star
5

molecule-sanitizer-old

HTML
1
star
6

pybullet_ompl

Python
1
star