pypi.org "mace" keyword
aoe-tool 0.0.3 💰
aoe tools.3 versions - Latest release: almost 7 years ago - 1 dependent repositories - 58 downloads last month - 886 stars on GitHub - 1 maintainer
scgo 0.9.4
Global optimization of atomic clusters using ASE with Basin Hopping and Genetic Algorithms, MLIP ...16 versions - Latest release: 4 days ago - 242 downloads last month - 0 stars on GitHub - 1 maintainer
amorphgen 1.0.0rc6
Amorphous structure generation via melt-quench MD and random placement6 versions - Latest release: 17 days ago - 231 downloads last month - 14 stars on GitHub - 1 maintainer
clff 26.7.3
CLFF: Automated Framework for Concurrent Learning Force Fields and Material Properties Calculations9 versions - Latest release: 4 months ago - 0 stars on GitHub - 1 maintainer
lammps-mdi 0.1.12
MDI engine drivers for LAMMPS — MACE and other ML forcefields via MolSSI Driver Interface13 versions - Latest release: about 2 months ago - 487 downloads last month - 0 stars on GitHub - 1 maintainer
mace-mcp-server 0.1.1
MCP server for MACE machine learning interatomic potentials2 versions - Latest release: 7 months ago - 35 downloads last month - 1 maintainer
mace-mlx 0.5.0
GPU-accelerated MACE interatomic potential inference on Apple Silicon via MLX5 versions - Latest release: 4 months ago - 32 downloads last month - 4 stars on GitHub - 1 maintainer
alff 26.3.1.dev5
ALFF: Active Learning Framework for ML-based Forcefields generation.4 versions - Latest release: 8 months ago - 88 downloads last month - 0 stars on GitHub - 1 maintainer
orca-mlips 1.3.0
MLIP plugins for ORCA ExtTool (UMA, ORB, MACE, AIMNet2)5 versions - Latest release: about 1 month ago - 121 downloads last month - 5 stars on GitHub - 1 maintainer
g16-mlips 1.2.0
MLIP plugins for Gaussian16 External (UMA, ORB, MACE, AIMNet2)4 versions - Latest release: about 1 month ago - 96 downloads last month - 2 stars on GitHub - 1 maintainer
remedi 0.1.1
Smooth, chiral 3D molecular descriptors from atomistic foundation models2 versions - Latest release: 4 months ago - 24 downloads last month - 19 stars on GitHub - 1 maintainer
vpmdk 0.5.1
Run machine-learning potentials using VASP style inputs.9 versions - Latest release: about 2 months ago - 137 downloads last month - 5 stars on GitHub - 1 maintainer
Related Keywords
machine-learning
5
materials-science
4
uma
3
sevennet
3
orb
3
ase
3
molecular-dynamics
3
transition-state
2
chgnet
2
computational-chemistry
2
plugin
2
active learning
2
mlip
2
machine-learning-interatomic-potential
2
geometry-optimization
2
aimnet
2
tools
1
amorphous
1
melt-quench
1
metatomic
1
tensorflow
1
squeezenet
1
ncnn
1
mnn
1
mnist
1
ml
1
ire
1
ios
1
edge
1
didi
1
device
1
mattersim
1
fairchem
1
upet
1
genetic-algorithm
1
basin-hopping
1
atomic-clusters
1
structure-optimization
1
mlx
1
apple-silicon
1
interatomic-potentials
1
orca
1
semiconductor
1
ramdom-structure-generation
1
python
1
materials
1
amorphous-materials
1
DFT
1
ASE
1
LAMMPS
1
ACE
1
SevenNet
1
CHGNet
1
MACE
1
MLIP
1
matris
1
matlantis
1
mace-torch
1
interatomic-potential
1
deepmd-kit
1
allegro
1
vasp
1
representation-learning
1
quantum-chemistry
1
molecular-modeling
1
molecular-descriptors
1
machine-learned-interatomic-potentials
1
equivariant
1
chirality
1
cheminformatics
1
simulation
1
mcp
1
force-field
1
atomistic
1
demo
1
deep-learning
1
benchmark
1
aoe
1
android
1
ai
1
graph-based potential
1
ML interatomic potential generator
1
graph-based MLIP
1
concurrent learning
1
Machine Learning Interatomic Potential
1
MLIP generator
1
g16
1
molecular dynamics
1
forcefield
1
machine learning
1
mdi
1
lammps
1
nequix
1
nequip
1