Pinned Repositories
e3nn
A modular framework for neural networks with Euclidean symmetry
jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
allegro
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
electron-density
Machine Learning the interacting ground-state density of physical systems.
ffr-ElectronicStructure.jl
Electronic structure calculations using Julia
L-BFGS-Julia
A 🔥 L-BFGS optimizer in Julia.
PROPhet
PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches
simonbatzner's Repositories
simonbatzner/L-BFGS-Julia
A 🔥 L-BFGS optimizer in Julia.
simonbatzner/electron-density
Machine Learning the interacting ground-state density of physical systems.
simonbatzner/ffr-ElectronicStructure.jl
Electronic structure calculations using Julia
simonbatzner/PROPhet
PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches
simonbatzner/pair_nequip
simonbatzner/r_processes
Gaussian Processes in R.
simonbatzner/Successive-Over-Relaxation
Implementation of the Successive Over-Relaxation method in Julia
simonbatzner/awesome-equivariant-network
Paper list for equivariant neural network
simonbatzner/BCAI_kaggle_CHAMPS
Bosch solution to CHAMPS Kaggle competition
simonbatzner/e3nn
A modular framework for neural networks with Euclidean symmetry
simonbatzner/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
simonbatzner/materials_discovery
simonbatzner/PA-Graph-Transformer
simonbatzner/pytorch_geometric
Geometric Deep Learning Extension Library for PyTorch
simonbatzner/RSI
simonbatzner/simonbatzner.github.io
simonbatzner/spectral_inference_networks
Implementation of Spectral Inference Networks, ICLR 2019
simonbatzner/tensorlm
📝 Wrapper library for text generation / language models at char and word level with RNN in TensorFlow