pypi.org "xtb" keyword
tscode 0.4.16
Computational chemistry general purpose transition state builder and ensemble optimizer26 versions - Latest release: over 2 years ago - 1 dependent repositories - 63 downloads last month - 14 stars on GitHub - 1 maintainer
peace-protomer 0.1.0
Protomer Enumerator & Automatic Calculator for Energies: an atomistic workflow for determining ac...1 version - Latest release: 3 days ago - 0 downloads last month - 15 stars on GitHub - 1 maintainer
xapi-python 0.2.1
The xStation5 API Python library13 versions - Latest release: almost 2 years ago - 70 downloads last month - 46 stars on GitHub - 1 maintainer
dxtb 0.4.0
Fully Differentiable Approach to Extended Tight Binding7 versions - Latest release: 8 months ago - 636 downloads last month - 148 stars on GitHub - 1 maintainer
gfn1-rs-python 0.7.2
Python and ASE interface for the native Rust GFN1-xTB implementation5 versions - Latest release: 4 days ago - 24 downloads last month - 1 stars on GitHub - 1 maintainer
delfin-complat 1.1.12
DELFIN is a modular computational chemistry platform that automates end-to-end molecular workflow...21 versions - Latest release: 7 months ago - 83 downloads last month - 9 stars on GitHub - 1 maintainer
xtbapi 1.0a7
Api for XBT trading platform5 versions - Latest release: over 6 years ago - 1 dependent package - 1 dependent repositories - 84 downloads last month - 64 stars on GitHub - 1 maintainer
gfn0-rs-python 0.4.1
Unofficial GFN0-xTB in Rust with Python/ASE bindings: analytic derivatives through sixth order, p...2 versions - Latest release: about 2 months ago - 90 downloads last month - 0 stars on GitHub - 1 maintainer
pygfn0-torch 0.1.2
Unofficial differentiable LibTorch implementation of a GFN0-xTB-like Hamiltonian as a parameter l...3 versions - Latest release: 6 months ago - 209 downloads last month - 1 maintainer
xtb-api-python 0.10.0
Python port of unofficial XTB xStation5 API client10 versions - Latest release: 7 months ago - 479 downloads last month - 1 maintainer
qspoc 0.7.3
Quantum and Data Analysis toolkit for molecular descriptors computation5 versions - Latest release: 4 months ago - 79 downloads last month - 1 maintainer
complax 1.1.2
A Python tool for automating microsolvation and geometry optimization using xTB.4 versions - Latest release: 2 months ago - 149 downloads last month - 0 stars on GitHub - 1 maintainer
pygfn0 0.0.3
A Python Library for GFN-FF.2 versions - Latest release: about 1 year ago - 114 downloads last month - 2 stars on GitHub - 1 maintainer
pygfnff 0.0.3
A Python Library for GFN-FF.3 versions - Latest release: about 1 year ago - 206 downloads last month - 2 stars on GitHub - 1 maintainer
pyxtb 1.0.0
Python wrapper for XTB HTTP API2 versions - Latest release: about 2 years ago - 46 downloads last month - 3 stars on GitHub - 1 maintainer
xwrpr 1.0.1
This Package is deprecated. Don't use it anymore.3 versions - Latest release: almost 2 years ago - 10 downloads last month - 0 stars on GitHub - 1 maintainer
xtb-bot-api 0.0.2
Package for XTB api trading bot (in production)2 versions - Latest release: over 4 years ago - 12 downloads last month - 0 stars on GitHub - 1 maintainer
compchem-cctop 0.2.2
A minimal terminal dashboard for computational chemistry output files.9 versions - Latest release: 6 months ago - 1 maintainer
Related Keywords
computational-chemistry
6
python
6
chemistry
5
trading
5
api
5
quantum-chemistry
4
ase
4
xtb-api
4
tight-binding
4
xtb-trading
3
python3
3
orca
2
atomic-simulation-environment
2
gfn-ff
2
molecule
2
finance
2
single-point-energy
2
forex-trading
2
forex
2
xstation5
2
websocket
2
rdkit
2
computational chemistry
2
xapi
2
gfn0
2
vasp
1
machine learning
1
quantum chemistry
1
autograd
1
pytorch
1
libtorch
1
descriptors
1
quantum
1
automatic-differentiation
1
financial-services
1
gfn1-xtb
1
bitcoin
1
trading-api
1
exchange-api
1
forex-data
1
xstation
1
xopenhub
1
forex-api
1
xopenhub-api
1
xstation-api
1
x-trade-brokers
1
bfbcapital
1
ASE
1
transition state
1
gaussian
1
qchem
1
cli
1
tui
1
redox
1
spin-state
1
workflow
1
dashboard
1
smiles
1
ai-agents
1
inverse-design
1
api-client
1
trading-bot
1
stock
1
stock-market
1
compchem
1
microsolvation
1
geometry optimization
1
geometry-optimization
1
algorithmic-trading
1
wrapper
1
cheminformatics
1
tautomer
1
protomer
1
zwitterion
1
pKa
1
solvation
1