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Popular GitHub Repositories for Pyscf

Discover the most popular open-source projects and tools related to Pyscf, and stay updated with the latest development trends and innovations.

GradDFT

0
deep-learning

GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine learning techniques.

103
5个月前
0

TenCirChem

0
chemistry

Quantum computational chemistry based on TensorCircuit

66
5个月前
0

Pyscf Ipu

0
dft

PySCF on IPU

42
10个月前
0

Neuralxc

0
chemistry

Implementation of a machine learned density functional

36
6个月前
0

TenCirChem NG

0
chemistry

Quantum computational chemistry based on TensorCircuit

7
5个月前
0