Awesome Open Source

Programming Languages

Search results for jupyter notebook drug discovery

drug-discovery x

jupyter-notebook x

32 search results found

Deeplearningexamples ⭐ 12,073

State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.

Graphein ⭐ 932

Protein Graph Library

Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science

Deeppurpose ⭐ 826

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

Release ⭐ 232

Deep Reinforcement Learning for de-novo Drug Design

Jupyter_dock ⭐ 215

Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

Drug Computing ⭐ 131

Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.

Bidd Molmap ⭐ 125

MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning

Optimising chemical reactions using machine learning

De Novo Drug Design with RNNs and Transformers

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

Litmatter ⭐ 55

Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.

Py4chemoinformatics ⭐ 53

Python for chemoinformatics

Ligdream ⭐ 34

Novel molecules from a reference shape!

Interpretable AI pipeline improving binding predictions for novel protein targets and ligands

Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)

Molecular Vae ⭐ 19

Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"

Interpretable AI pipeline improving binding predictions for novel protein targets and ligands

Kgem Ensembles In Drug Discovery ⭐ 17

Source code and data repository for "Ensembles of knowledge graph embedding models improve predictions for drug discovery"

Asapdiscovery ⭐ 15

Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium

De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors

Qsprpred ⭐ 14

A tool for creating Quantitative Structure Property Relationship (QSPR) models.

Biomedical Kg Topological Imbalance ⭐ 14

Code to accompany the "Implications of Topological Imbalance for Representation Learning on Biomedical Knowledge Graphs" (Briefings in Bioinformatics, 2022)

Gentropy ⭐ 13

Open Targets python framework for post-GWAS analysis

Fast Bayesian optimization, quadrature, inference over arbitrary domain with GPU parallel acceleration

Deep Purpose Tutorial ⭐ 9

Repository for the HackBio'2021 Internship for Team Drug-Development-A

HydrAMP: a deep generative model for antimicrobial peptide discovery

Ml Ensemble Docking ⭐ 8

Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning

Fragment Hit Follow Up Chemistry ⭐ 7

A collection of notebooks and scripts for the prediction of follow-up compounds in

Mutual Interactors: A graph-based machine learning model with applications in molecular phenotype prediction

Pharmaceutical Patent Landscaping ⭐ 6

Source code and data files for manuscript titled "Pharmaceutical patent landscaping: A novel approach to understand patents from the drug discovery perspective"

Drugdiscovery Tox21 ⭐ 5

Drug discovery project by making use of the Tox-21 dataset.

Este repositorio debe ser el punto de partida y encuentro para cualquier investigador o estudiante que quiera comenzar a trabajar con/en la UIBCDF. Si has caído aquí por otro motivo y este material te es útil, eres más que bienvenido a usarlo e interaccionar con nosotros.

Related Searches

Python Jupyter Notebook (12,976)

Jupyter Notebook Machine Learning (8,463)

Jupyter Notebook Dataset (6,824)

Jupyter Notebook Deep Learning (6,566)

Jupyter Notebook Tensorflow (4,771)

Jupyter Notebook Data Science (4,256)

Jupyter Notebook Convolutional Neural Networks (4,218)

Jupyter Notebook Classification (3,939)

Jupyter Notebook Neural (3,926)

Jupyter Notebook Pytorch (3,877)

1-32 of 32 search results

Privacy | About | Terms | Follow Us On Twitter

Copyright 2018-2024 Awesome Open Source. All rights reserved.