mahuahuahua

Pinned Repositories

• aiida-core

  The official repository for the AiiDA code

  Language:Python437263.2k192

• descriptastorus

  Descriptor computation(chemistry) and (optional) storage for machine learning

  Language:Python234112467

• MoleculeX

  Language:Python16361126

• ILTransR

  Implementation of "Generalizing property prediction of ionic liquids from limited labeled data: a one-stop framework empowered by transfer learning" in MXNet

  Language:Python8111

• rdkit

  The official sources for the RDKit library

  Language:HTML2.7k803.3k881

• COF_Brick_BO_Search

  Language:Python0110

mahuahuahua's Repositories