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aizynthfinder

A tool for retrosynthetic planning

atp

ATP: Directed Graph Embedding with Asymmetric Transitivity Preservation

breaking_cycles_in_noisy_hierarchies

breaking cycles in noisy hierarchies

cobdock

Reference implementation of the COBDock algorithm.

deep-docking-nonautomated

elephas

Distributed Deep learning with Keras & Spark

exp2sl

EXP2SL: a Machine Learning Framework for Cell-Line Specific Synthetic Lethality Prediction

gcn

Implementation of Graph Convolutional Networks in TensorFlow

graph2gauss

Gaussian node embeddings. Implementation of "Deep Gaussian Embedding of Graphs: Unsupervised Inductive Learning via Ranking".

graphvite

GraphVite: A General and High-performance Graph Embedding System

hairclip

[CVPR 2022] HairCLIP: Design Your Hair by Text and Reference Image

hairstyle-try-on

Virtual hair makeover from image processing project.

headnet

Reference implementation of the HEADNet algorithm.

heat

Reference implementation of the HEAT algorithm described in https://link.springer.com/chapter/10.1007/978-3-030-62362-3_4

hgcn

Hyperbolic Graph Convolutional Networks in PyTorch.

hnema

Improving Therapeutic Synergy Score Predictions with Adverse Effects using Multi-task Heterogeneous Network Embedding

hob

Machine learning model for predicting Human Oral Bioavailability

hypera

Started as a Team Project for CS690D at UMass Amherst, now turning into pytorch implementation of hyperbolic neural networks using Poincare Ball model. [Final report](https://github.com/dhruvdcoder/HyperA/tree/master/report)

hyperbolic_nn

Source code for the paper "Hyperbolic Neural Networks", https://arxiv.org/abs/1805.09112

hyperbolics

Hyperbolic Embeddings

implisig

kano

Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".

keras-dcgan

Keras implementation of Deep Convolutional Generative Adversarial Networks

kg4sl

Synthetic lethality (SL) is a promising gold mine for the discovery of anti-cancer drug targets. KG4SL is the first graph neural network (GNN)-based model that uses knowledge graph for SL prediction.

ligtmap

LigTMap currently supports prediction for 17 protein target classes that include 6000+ protein targets.

line

LINE: Large-scale information network embedding

mim

Exploratory code for preparation of ArangoDB graph database

natural-product-function

scripts for predicting natural product activity from biosynthetic gene cluster sequences

node2vec

np-classifier