Example of ML method using QM descriptors - Githubissues

kntkb / technotes

Personal technical notes

1 stars 0 forks source link

Example of ML method using QM descriptors #86

Open kntkb opened 5 months ago

kntkb commented 5 months ago

PythiaCHEM : a user-friendly machine learning toolkit for chemistry

Uses precomputed DFT descriptors
See S13 for DFT descriptor details