pypi.org "deeph" keyword
deepx-dock 0.9.11
DeepH-dock seamlessly integrates deep learning with first-principles calculations. It serves as a...8 versions - Latest release: 8 months ago - 71 downloads last month - 42 stars on GitHub - 1 maintainer
deepx-pack 1.0.6.post3
DeepH-pack is a general-purpose neural network package for deep-learning electronic structure cal...3 versions - Latest release: 10 months ago - 33 downloads last month - 26 stars on GitHub - 1 maintainer
deeph-dock 0.1.0
Compatibility alias for deepx-dock; install deepx-dock instead.1 version - Latest release: 18 days ago - 0 downloads last month - 42 stars on GitHub - 1 maintainer
aimspy 0.2.2
Pure-Python in-memory interface to FHI-aims via ctypes, for seamless integration with DeepX/DeepH.5 versions - Latest release: about 1 month ago - 154 downloads last month - 6 stars on GitHub - 1 maintainer
Related Keywords
deep-learning
3
density-functional-theory
3
FHI-aims
2
JAX
2
Graph Neural Network
2
Deep Learning
2
Physics
2
DeepH-pack
2
ab-inito
2
DeepH
2
fhi-aims
1
dft-calculations
1
deeph-pack
1
deeph-dock
1
quantum chemistry
1
materials science
1
deepx
1
ctypes
1
ab initio
1
DFT
1
HPRO
1
SIESTA
1
ABACUS
1
OpenMX
1
DeepH-dock
1
jax
1
flax
1
DeepX
1
compatibility
1
alias
1