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melting point prediction by GNN and other methods
Python 4
Forked from delton137/mmltoolkit
Molecular machine learning toolkit
Python 1
Forked from SINGROUP/SOAPLite
Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics.
C 1
Forked from SINGROUP/dscribe
DScribe is a python package for creating machine learning descriptors for atomistic systems.
Python 1 1
Forked from Dod-o/Statistical-Learning-Method_Code
手写实现李航《统计学习方法》书中全部算法
Forked from PytLab/VASPy
Manipulating VASP files with Python.
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