JoshuaMeyers

Joshua Meyers's starred repositories

tcr-bert

Large language modeling applied to T-cell receptor (TCR) sequences.

Language:Jupyter NotebookApache-2.04100

DataSAIL

DataSAIL is a tool to split datasets while reducing information leakage.

Language:PythonMIT1300

protein-sequence-diffusion-model

diffusion model for protein sequence generation

Language:Jupyter NotebookMIT4100

Implementation of the DDPM + IPA (invariant point attention) for protein generation, as outlined in the paper "Protein Structure and Sequence Generation with Equivariant Denoising Diffusion Probabilistic Models"

Language:PythonMIT8300

ddpm-proteins

A denoising diffusion probabilistic model (DDPM) tailored for conditional generation of protein distograms

Language:PythonMIT13400

cond_rnn

Conditional RNNs for Tensorflow / Keras.

Language:PythonMIT21800

TCRdock

python tools for TCR:peptide-MHC modeling and analysis

Language:PythonMIT6200

align-it

backup of silicos-it's align-it-1.0.4

Language:C++LGPL-3.0900

diffab

✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)

Language:PythonApache-2.023200

pdb_prot_align

Align proteins to chains in PDB structures

Language:Jupyter NotebookNOASSERTION600

CHEM101.6

Language:Jupyter Notebook12200

codabench

Codabench is a flexible, easy-to-use and reproducible benchmarking platform. Check our paper at Patterns Cell Press https://hubs.li/Q01fwRWB0

Language:PythonApache-2.05300

Uni-Fold

An open-source platform for developing protein models beyond AlphaFold.

Language:PythonApache-2.035000

fcd_torch

Fréchet ChemNet Distance on PyTorch

Language:PythonMIT4600

guacamol

Benchmarks for generative chemistry

Language:PythonMIT38300

libmolgrid

Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows

Language:C++Apache-2.013100

moses

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

Language:PythonMIT78800

auto-sklearn

Automated Machine Learning with scikit-learn

Language:PythonBSD-3-Clause743800

regression_enrichment_surface

Language:PythonMIT100

blog_notebooks

blogpost notebooks

Language:Jupyter Notebook1800

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

Language:PythonMIT520400

MolBERT

Language:PythonMIT11700

dgl-lifesci

Python package for graph neural networks in chemistry and biology

Language:PythonApache-2.069000

mongo-rdkit

GSoC 2020 project to integrate the RDKit and MongoDb

Language:PythonBSD-2-Clause1600

Reinvent

Language:PythonApache-2.033200

aizynthfinder

A tool for retrosynthetic planning

Language:PythonMIT54600

GraphINVENT

Graph neural networks for molecular design.

Language:PythonMIT35300

graphein

Protein Graph Library

Language:Jupyter NotebookMIT99000