ghorbanimahdi73

autofragdiff

ghorbanimahdi73.github.io

My personal website

chemCPA

Code for "Predicting Cellular Responses to Novel Drug Perturbations at a Single-Cell Resolution", NeurIPS 2022.

DiffSBDD

A Euclidean diffusion model for structure-based drug design.

3DLinker

An E(3) Equivariant Variational Autoencoder for Molecular Linker Design

AMPGen

Attention based variational auto encoder for antimicrobial peptide generation

GraphVampNet

linking

Allostery-NRI

code for learning allosteric point-to-point communication in protein dynamics using an efficient Neural relational inference

GMVAE-MD

siamese-triplet

Siamese and triplet networks with online pair/triplet mining in PyTorch

deeptime

Python library for analysis of time series data including dimensionality reduction, clustering, and Markov model estimation

awesome-machine-learning

A curated list of awesome Machine Learning frameworks, libraries and software.