6411 Open source projects that are alternatives of or similar to Smiles Transformer

Therapeutics Data Commons: Machine Learning Datasets and Tasks for Therapeutics

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BertQA - Attention on Steroids

Web Interface for ChEMBL @ EMBL-EBI

Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.

Datasets I have created for scientific summarization, and a trained BertSum model

Tutorials on implementing a few sequence-to-sequence (seq2seq) models with PyTorch and TorchText.

Molecular dynamics simulation software

BERT for Multitask Learning

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A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

ANI-1 neural net potential with python interface (ASE)

A curated list of Cheminformatics libraries and software.

A Javascript cheminformatics toolkit.

🧑‍🏫 50! Implementations/tutorials of deep learning papers with side-by-side notes 📝; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, ...), gans(cyclegan, stylegan2, ...), 🎮 reinforcement learning (ppo, dqn), capsnet, distillation, ... 🧠

2018-JDDC大赛第4名的解决方案

Version 3 of Chem4Word - A Chemistry Add-In for Microsoft Word

Python for chemoinformatics

chemical graph theory library for JavaScript

Implementation of Transformer model (originally from Attention is All You Need) applied to Time Series.

Neural question generation using transformers

The Chemistry Development Kit

Electra pre-trained model using Vietnamese corpus

GPT-2 French demo | Démo française de GPT-2

A small, interpretable codebase containing the re-implementation of a few "deep" NLP models in PyTorch. Colab notebooks to run with GPUs. Models: word2vec, CNNs, transformer, gpt.

Library for reading and writing chemistry files

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

Universal cheminformatics libraries, utilities and database search tools

Python wrapper for the NCI Chemical Identifier Resolver (CIR)

Python wrapper for the PubChem PUG REST API.

Official Python client for accessing ChEMBL API.

Build and train state-of-the-art natural language processing models using BERT

Jupyter Notebook tutorials on solving real-world problems with Machine Learning & Deep Learning using PyTorch. Topics: Face detection with Detectron 2, Time Series anomaly detection with LSTM Autoencoders, Object Detection with YOLO v5, Build your first Neural Network, Time Series forecasting for Coronavirus daily cases, Sentiment Analysis with BERT.

[ECCV'2020] STTN: Learning Joint Spatial-Temporal Transformations for Video Inpainting

Deep Reinforcement Learning for de-novo Drug Design

Tool for visualizing attention in the Transformer model (BERT, GPT-2, Albert, XLNet, RoBERTa, CTRL, etc.)

텐서플로우와 머신러닝으로 시작하는 자연어처리(로지스틱회귀부터 트랜스포머 챗봇까지)

organic chemistry reaction prediction using NMT with Attention

A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.

Ideas for chemical similarity searches in MongoDB.

Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction

Version 2020 (3.1) of Chem4Word - A Chemistry Add-In for Microsoft Word

The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.

A library to interface molecules and machine learning.

Data Augmentation by Backtranslation (DAB) ヽ( •_-)ᕗ

Natural Language Processing Tutorial for Deep Learning Researchers

[NeurIPS 2020] Official code for the paper "DeepSVG: A Hierarchical Generative Network for Vector Graphics Animation". Includes a PyTorch library for deep learning with SVG data.

The official PyTorch implementation of "Pathfinder Discovery Networks for Neural Message Passing" (WebConf '21)

Graph-based molecule modeling toolkit for cheminformatics

My implementation of the original transformer model (Vaswani et al.). I've additionally included the playground.py file for visualizing otherwise seemingly hard concepts. Currently included IWSLT pretrained models.

Indonesian Language Models and its Usage

Molecule Validation and Standardization

Deliverable: This Jupyter notebook will help aspiring data scientists learn and practice the necessary python code needed for many data science projects.

Code for reproducing the results from the paper Few Shot Text Classification with a Human in the Loop

Book sample (AI Machine-learning Deep-learning)

Faster-RCNN based on Densecap(deprecated)

There are plenty of courses and tutorials that can help you learn machine learning from scratch but here in GitHub, I want to solve some Kaggle competitions as a comprehensive workflow with python packages. After reading, you can use this workflow to solve other real problems and use it as a template.

机器学习实战