formation-energy

There are 0 repository under formation-energy topic.

• chenebuah / perovskite-ML

  Comparative Analysis of Machine Learning Approaches on the Prediction of the Electronic Properties of Perovskite: A Case Study of the ABX3 and A2BB’X6

  perovskiteformation-energybandgapmachine-learningpython
  Language:Python 21
• GATGNN-VOLTAGE

  superlouis / GATGNN-VOLTAGE

  This software package implements the pytorch adaption of GATGNN-Voltage for the problem voltage prediction.

  voltagegraph-neural-networksformation-energy
  Language:Python 5

• chenyubi14 / easy_defect_formation_energy

  Automatically generate the formation energy diagram for multiple defects. Designed for VASP output.

  pythonshellvaspautomationdefectformation-energy
  Language:Python 0