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Showing results

Speed virtual screening by 50X

Python 86 33 Updated Mar 24, 2023

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

Python 982 239 Updated Jul 8, 2024

A deep learning framework for molecular docking

C++ 576 142 Updated May 15, 2024
Python 24 4 Updated Mar 25, 2024

SMILES enumeration for QSAR modelling using LSTM recurrent neural networks

Python 212 70 Updated Apr 26, 2022

maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.

Jupyter Notebook 28 4 Updated Feb 22, 2024

Augment molecular SMILES with methods including enumeration, and mixup, for low-data regime settings for downstream supervised drug discovery tasks.

Python 1 1 Updated Dec 28, 2022

DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such that the resulting extension is also highly complementary to th…

Python 14 4 Updated Dec 22, 2023

the code of article: PETrans: De Novo Drug Design with Protein-specific Encoding Based on Transfer Learning

Python 7 Updated Oct 18, 2022

AlphaDrug: Protein Target Specific De Novo Molecular Generation

Python 35 7 Updated Oct 20, 2022
Python 41 11 Updated Apr 21, 2022

DeepMol: A Machine and Deep Learning Framework for Computational Chemistry

Python 92 10 Updated Jul 3, 2024
TypeScript 3 Updated Feb 2, 2024

Uses Flask Sockets to create a live chat room application.

Python 88 54 Updated May 9, 2024

(unofficial) Googletrans: Free and Unlimited Google translate API for Python. Translates totally free of charge.

Python 3,798 705 Updated May 18, 2024

Automatic Speech Recognition React app using Mozilla Deepspeech

JavaScript 7 Updated Jan 4, 2023

This repository is a template for anyone wishing to build quickly a web application using OpenAI technologies, such as GPT or Whisper. You are welcome to use the code template for your own projects!

HTML 8 2 Updated Jan 30, 2024

This is a language Translator web application that was made using Flask, Python, and GoogleTrans.

HTML 2 3 Updated Jun 22, 2020

A template for machine learning Flask server setup and React app creation.

JavaScript 10 6 Updated Feb 28, 2021

Building and Embedding Machine Learning Model into a Web App(With Flask,Streamlit,etc)

Jupyter Notebook 554 569 Updated Sep 30, 2022

Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology

Python 189 66 Updated Jul 6, 2023

DockStream: A Docking Wrapper to Enhance De Novo Molecular Design

Python 101 30 Updated Mar 16, 2023

A Python wrapper for PaDEL-Descriptor software

Python 171 33 Updated Nov 10, 2023