Python package for graph neural networks in chemistry and biology
- deep-learning
- graph-neural-networks
- dgl
- cheminformatics
Repository Index
47,133 repositories indexed
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A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
- deep-learning
- pytorch
- deep-chemistry
- graph-neural-network
Throw in the towel.
- dotnet
- towel
- csharp
- library
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
Simultaneous Nuclear Instance Segmentation and Classification in H&E Histology Images.
A Go package for engineering organisms.
- synthetic-biology
- synbio
- genetic-engineering
- molecular-biology
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
Interactive network visualization in Python and Dash, powered by Cytoscape.js
- plotly-dash
- plotly
- dash
- cytoscape
⚗ A package useful for chemistry written in Python
- chemistry
- physical-chemistry
- chemical-kinetics
- chemical-formulas
A Free and Open Source Python Library for Multiobjective Optimization
- optimization
- multiobjective
- evolutionary
- algorithm
DiffSharp: Differentiable Functional Programming
- machine-learning
- tensor
- dotnet
- autodiff
A Swift micro library for generating Sunrise and Sunset times on device, requiring no network access.
- swift
- sunrise
- sunset
- ios
🎯 A comprehensive gradient-free optimization framework written in Python
- metaheuristics
- optimization
- optimization-algorithms
- python
A Euclidean diffusion model for structure-based drug design.
- ddpm
- drug-design
- equivariance
- generative-model
U-Net Brain Tumor Segmentation
- tensorflow
- tensorlayer
- unet
- medical-imaging
Code for the Nature Scientific Reports paper "Pathologist-level classification of histologic patterns on resected lung adenocarcinoma slides with deep neural networks." A sliding window framework for classification of high resolution whole-slide images, often microscopy or histopathology images.
- histopathology-images
- microscopy
- sliding-windows
- medical-image-analysis
SCENIC is an R package to infer Gene Regulatory Networks and cell types from single-cell RNA-seq data.
Sequential regulatory activity predictions with deep convolutional neural networks.
PyKEP is a scientific library providing basic tools for research in interplanetary trajectory design.
- interplanetary
- mission-analysis
- astrodynamics
- aerospace
Universal cheminformatics toolkit, utilities and database search tools
- indigo
- bingo
- cheminformatics
- chemistry
The repository host gives no description.
- mesh-generator
Genomic Pretrained Network - GPN, GPN-MSA, PhyloGPN, GPN-Star
- dna
- language-model
- variant-effect-prediction
- genomics
A library designed to ease geographic coordinate format conversions, and determine sun/moon information in C#
- moon
- coordinates
- longitude
- latitude
Neural networks toolbox focused on medical image analysis
- python
- keras
- convolutional-neural-networks
- brain