jqwenchen

R-Mix

EDM4Drug

Guided Equivariant Diffusion Model for Drug Discovery

ScoreBased-DynamicGraph

Score-Based-Modeling for Dynamic Graph Learning

Molecular-Datasets

Commonly used molecular Datasets

explore-consistency-models

consistency-models

pytorch-samples

Customized Pytorch Samples

KIML

This repo will contain Neural Differential Equations, Casual Learning, Physics Informed ML, and their applications in ML, etc.

TL-TOX

transfer learning for peptide toxicity prediction

Test-Time-Adaptation

PFL4CellTypeClassification

Single Cell Type Prediction with PFL

GNN-Self-Learning

A Self-maintained GNN Libs including GNN-Algorithm Implementation(commented), Study Material, etc.

Randomized-Smoothing-with-OOD

scRNA-annotation