Repository Index

A PyTorch Library for Accelerating 3D Deep Learning Research

• pytorch
• 3d-deep-learning
• neural-networks
• differentiable-rendering

Message Passing Neural Networks for Molecule Property Prediction

• machine-learning
• chemistry
• neural-networks
• drug-discovery

Source code of PyGAD, a Python 3 library for building the genetic algorithm and training machine learning algorithms (Keras & PyTorch).

• python
• genetic-algorithm
• optimization
• numpy

Brian is a free, open source simulator for spiking neural networks.

• python
• neuroscience
• science
• differential-equations

Python package for graph neural networks in chemistry and biology

• deep-learning
• graph-neural-networks
• dgl
• cheminformatics

OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

• computational-chemistry
• computational-biology
• deep-learning
• deep-neural-networks

A Euclidean diffusion model for structure-based drug design.

• ddpm
• drug-design
• equivariance
• generative-model

Neural networks toolbox focused on medical image analysis

• python
• keras
• convolutional-neural-networks
• brain

Source code for "DeepDTA: deep drug-target binding affinity prediction"

• protein-ligand-interactions
• convolutional-neural-networks

The V Tensor Library

• v
• hacktoberfest
• autograd
• deep-learning

Optimising chemical reactions using machine learning

• chemistry
• machine-learning
• optimization
• bayesian-optimization

⚡ Open-source software for deep learning-based digital pathology

• deep-learning
• machine-learning
• digital-pathology
• computational-pathology

Axon/Myelin segmentation using Deep Learning

• deep-learning
• machine-learning
• myelin
• axon

Accelerated tensor operations and dynamic neural networks based on reverse mode automatic differentiation for every device that can run Swift - from watchOS to Linux

• deep-learning
• deep-neural-networks
• gradient-descent
• automatic-differentiation

A platform independent tensor library with autograd for the JVM

• java
• library
• deep-neural-networks

Deep learning model for single-cell inference of multi-omic profiles from a single input modality.

• single-cell
• scrna-seq
• scatac-seq
• deep-neural-networks

Workbench for practical machine learning in Ruby.

• machine-learning
• machine-learning-algorithms
• neural-network
• neural-networks