Pinned Repositories
beanmachine
A library that allows for inference on probabilistic models
animals-vs-trees
Fun with mathematical modeling
astartes
Train:Test Algorithmic Sampling for Molecules, Images, and Arbitrary Arrays
awesome-explainable-graph-reasoning
A collection of research papers and software related to explainability in graph machine learning.
beanmachine
A library that allows for inference on probabilistic models
computational-chemistry-toolbox
wavey
AIMSim
A Python toolbox to work with molecular similarity
Regularized-Machine-Learning-on-Molecular-Graph-Model-Explains-Systematic-Error-in-DFT-Enthalpies
thermochemical-data-fusion
Code hub.
himaghna's Repositories
himaghna/astartes
Train:Test Algorithmic Sampling for Molecules, Images, and Arbitrary Arrays
himaghna/computational-chemistry-toolbox
himaghna/animals-vs-trees
Fun with mathematical modeling
himaghna/awesome-explainable-graph-reasoning
A collection of research papers and software related to explainability in graph machine learning.
himaghna/beanmachine
A library that allows for inference on probabilistic models
himaghna/wavey
himaghna/causal_inference
Repository for my studies of Causal Inference
himaghna/chainer-chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
himaghna/chemprop
Message Passing Neural Networks for Molecule Property Prediction
himaghna/coding-interview-university
A complete computer science study plan to become a software engineer.
himaghna/comp_catalysis_toolbox
Python tools to help automate steps in the computational catalysis workflow
himaghna/COVID-DE-19
Code to analyse time series data in COVID-19 around Delaware
himaghna/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
himaghna/extended_train_test_split
Algorithmic train:test splitting for molecules, images, and arbitrary arrays.
himaghna/game-of-life
Implement Conway's Game Of Life
himaghna/investigating-condition-number
himaghna/MAT
The official implementation of the Molecule Attention Transformer.
himaghna/msgnet
Tensorflow implementation of message passing neural networks for molecules and materials
himaghna/nmp_qc
Neural Message Passing for Computer Vision
himaghna/NPEET
Non-parametric Entropy Estimation Toolbox
himaghna/opeth-lyrics
himaghna/phosphine-ligands
himaghna/reactor-surrogate
himaghna/rl_graph_generation
himaghna/samplemod
himaghna/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
himaghna/SimplifySplittingChemicals
Simplify your train:test Splitting for Chemicals in Machine Learning
himaghna/six-degrees-of-wikipedia
himaghna/spektral
Graph Neural Networks with Keras and Tensorflow 2.
himaghna/tf-gnn-samples
TensorFlow implementations of Graph Neural Networks