2 results found Sort:

ajz34
Py_xDH ajz34
14
59
gpl-3.0
5
Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
xdh molecular-property density-functional-theory
Created 2018-11-27
205 commits to master branch, last one 8 months ago
tata1661
PAR-NeurIPS21 tata1661
8
45
unknown
5
Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".
meta-learning drug-discovery few-shot-learning one-shot-learning molecular-property graph-structure-learning molecular-representation-learning
Created 2021-09-29
13 commits to main branch, last one 2 years ago