Popular repositories Loading

1. tmQM tmQM Public

   tmQM dataset files

   q 46 5

2. tmQMg tmQMg Public

   Repository for the tmQMg dataset files and analysis scripts.

   Python 10 4

3. HyDGL HyDGL Public

   Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.

   Python 8 2

4. AABBA AABBA Public

   AABBA is a Python library for applying autocorrelation (AC) functions

   Python 2 2

5. tmcinvdes tmcinvdes Public

   Public repository for preprint "Deep Generative Model for the Dual-Objective Inverse Design of Metal Complexes"

   Python 2

6. uiocompcat.github.io uiocompcat.github.io Public

   https://uiocompcat.github.io

   HTML