NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model

RoseTTAFold2 protein/nucleic acid complex prediction

MXfold2: RNA secondary structure prediction using deep learning with thermodynamic integration

DISTEVAL: A web-server for evaluating protein inter-residue distances

Basic RNA 3D structure comparison metrics in RNA-Puzzles, including INF, DI and RMSD. It also includes `RNA_normalizer` tool in pdb_utils.

Martini 3 small-molecule database

Describe and apply transformation on molecular structures and topologies

Chemical-Reaction-Aware Molecule Representation Learning

This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.

Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D

Official repository of "Spontaneous symmetry breaking in generative diffusion models"

AI-powered ab initio biomolecular dynamics simulation

Implementation of Denoising Diffusion for protein design, but using the new Equiformer (successor to SE3 Transformers) with some additional improvements

Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding

A PyTorch library entirely dedicated to neural differential equations, implicit models and related numerical methods

[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

Differentiable ODE solvers with full GPU support and O(1)-memory backpropagation.

EC-Conf: An Ultra-fast Diffusion Model for Molecular conformation Generation with Equivariant Consistency

FreeU: Free Lunch in Diffusion U-Net (CVPR2024 Oral)

Official repo for consistency models.

Source code for my NextJS course (https://acad.link/nextjs)

Project on financial forecasting using ML. Made by Anson Wong, Juan Garcia & Gudbrand Tandberg

Samples for CUDA Developers which demonstrates features in CUDA Toolkit

A Gradio web UI for Large Language Models with support for multiple inference backends.

LLMs build upon Evol Insturct: WizardLM, WizardCoder, WizardMath