NiklasGebauer's Stars
atomistic-machine-learning/schnetpack-gschnet
G-SchNet extension for SchNetPack
rhyan10/G-SchNetOE62
google-research/e3x
E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
understandable-machine-intelligence-lab/Quantus
Quantus is an eXplainable AI toolkit for responsible evaluation of neural network explanations
virelay/corelay
CoRelAy is a tool to compose small-scale (single-machine) analysis pipelines.
virelay/virelay
ViRelAy is a visualization tool for the analysis of data as generated by CoRelAy.
Julia-XAI/ExplainableAI.jl
Explainable AI in Julia.
stefanch/sGDML
sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model
ViCCo-Group/thingsvision
Python package for extracting representations from state-of-the-art computer vision models
chr5tphr/zennit
Zennit is a high-level framework in Python using PyTorch for explaining/exploring neural networks using attribution methods like LRP.
albermax/innvestigate
A toolbox to iNNvestigate neural networks' predictions!
Chen-Cai-OSU/awesome-equivariant-network
Paper list for equivariant neural network
jensengroup/xyz2mol
Converts an xyz file to an RDKit mol object
BenevolentAI/guacamol
Benchmarks for generative chemistry
hdavid/Launchpad95
Improved Novation Launchpad scripts for Ableton Live
pytorch/pytorch
Tensors and Dynamic neural networks in Python with strong GPU acceleration
atomistic-machine-learning/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems