Songyosk's Stars
aymericdamien/TensorFlow-Examples
TensorFlow Tutorial and Examples for Beginners (support TF v1 & v2)
shap/shap
A game theoretic approach to explain the output of any machine learning model.
recommenders-team/recommenders
Best Practices on Recommendation Systems
ritchieng/the-incredible-pytorch
The Incredible PyTorch: a curated list of tutorials, papers, projects, communities and more relating to PyTorch.
interpretml/interpret
Fit interpretable models. Explain blackbox machine learning.
deepchem/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
man-group/arctic
High performance datastore for time series and tick data
rdkit/rdkit
The official sources for the RDKit library
krasserm/bayesian-machine-learning
Notebooks about Bayesian methods for machine learning
hsiaoyi0504/awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
txie-93/cgcnn
Crystal graph convolutional neural networks for predicting material properties.
SINGROUP/dscribe
DScribe is a python package for creating machine learning descriptors for atomistic systems.
pyiron/pyiron
pyiron - an integrated development environment (IDE) for computational materials science.
txie-93/cdvae
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
krishnaik06/Recommendation_complete_tutorial
ropensci/webchem
Chemical Information from the Web
by256/icsg3d
3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
Chinmayrane16/DeepRecommender
Training Deep AutoEncoders for Collaborative Filtering
ifyoungnet/ChemDes
An integrated web-based platform for molecular descriptor and fingerprint computation
Songyosk/UVVIS
Automatic Prediction of Peak Optical Absorption Wavelengths in Molecules using Convolutional Neural Networks
Songyosk/GBFS4MPPML
Official implementation of "Gradient Boosted and Statistical Feature Selection Pipeline for Materials Property Predictions"
Songyosk/BGML
Automatic Prediction of Band Gaps of Inorganic Materials using Machine Learning
Songyosk/CurieML
Prediction of Curie Temperature using Machine Learning
Songyosk/CCNW4RMC
Official implementation of "Current-controlled nanomagnetic writing for reconfigurable magnonic crystals"
Songyosk/RayTracer
Computational modelling of ray propagation through optical elements using the principles of geometric optics (Ray Tracer)
Songyosk/MNLL2ELDM
Minimisation of a negative log likelihood fit to extract the lifetime of the D^0 meson (MNLL2ELDM)
Songyosk/MSDPS
Modelling Single & Double Pendulum Systems (MSDPS) - Using finite difference methods for solving ordinary differential equations
Songyosk/PM
Percolation Modelling (PM)
Songyosk/SuperconductivityML
Machine-Learning Predictions of Critical Temperatures from Chemical Compositions of Superconductors