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ndc_map

Mapping U.S. FDA National Drug Codes (NDC) to Drug Classes and Codes

netron

Visualizer for neural network, deep learning, and machine learning models

nougat

Implementation of Nougat Neural Optical Understanding for Academic Documents

omegafold

OmegaFold Release Code

openawsem

An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM

openchem

OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

openfold

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

openmmforcefields

CHARMM and AMBER forcefields for OpenMM (with small molecule support)

openmrs-drugorders-pharmacy

E-prescription and Pharmacy software system

openpbs

An HPC workload manager and job scheduler for desktops, clusters, and clouds.

opus_fold

OPUS-Fold: An Open-Source Protein Folding Framework Based on Torsion-Angle Sampling

packing-generation

Hard-sphere packing generation with the Lubachevsky–Stillinger, Jodrey–Tory, and force-biased algorithms and packing post-processing.

palm-rlhf-pytorch

Implementation of RLHF (Reinforcement Learning with Human Feedback) on top of the PaLM architecture. Basically ChatGPT but with PaLM

papers_for_protein_design_using_dl

List of papers about Proteins Design using Deep Learning

pasta

PASTA (Practical Alignment using SATe and Transitivity)

pdftotext

Simple PDF text extraction

pifold

The official implementation of the ICLR'2023 paper PiFold: Toward effective and efficient protein inverse folding.

ppi_generative

Protein-protein Interaction based Generative Model for Improving Gene Clustering

progen

Official release of the ProGen models

promptprotein

Code and Data for the paper: Multi-level Protein Structure Pre-training with Prompt Learning [ICLR 2023]

prosettac

protein-transformer

Predicting protein structure through sequence modeling

protein_generator

Joint sequence and structure generation with RoseTTAFold sequence space diffusion

proteindiffusiongenerator

Generative method to design novel proteins using a diffusion model

proteingan

proteininvbench

The official implementation of the paper ProteinInvBench: Benchmarking Protein Design on Diverse Tasks, Models, and Metrics

proteinmpnn

Code for the ProteinMPNN paper

pubchempy

Python wrapper for the PubChem PUG REST API.

public-pddi-analysis

migrates from swat-4-med-safety/SW-DDI-catalog/drug-drug-interactions