ziyun-wang's Stars
SUNCAT-Center/CatLearn
A machine learning environment for atomic-scale modeling in surface science and catalysis.
ulissigroup/magpie_python
Python version of magpie attribute generators.
pymc-devs/pymc
Bayesian Modeling and Probabilistic Programming in Python
aspuru-guzik-group/phoenics
Phoenics: Bayesian optimization for efficient experiment planning
scikit-optimize/scikit-optimize
Sequential model-based optimization with a `scipy.optimize` interface
pele-python/pele
Python energy landscape explorer
tensorflow/minigo
An open-source implementation of the AlphaGoZero algorithm
CamDavidsonPilon/Probabilistic-Programming-and-Bayesian-Methods-for-Hackers
aka "Bayesian Methods for Hackers": An introduction to Bayesian methods + probabilistic programming with a computation/understanding-first, mathematics-second point of view. All in pure Python ;)
PytLab/gaft
A Genetic Algorithm Framework in Python (not for production level)
vossjo/ase-espresso
ase interface for Quantum Espresso
thisisandreeeee/dmv-stalker
A bot to help book notoriously hard-to-get DMV appointments
scikit-learn/scikit-learn
scikit-learn: machine learning in Python
SUNCAT-Center/catmap
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening