Popular GitHub Repositories for Reactions

A tool for retrosynthetic planning

Chemical reaction network and systems biology interface for scientific machine learning (SciML). High performance, GPU-parallelized, and O(1) solvers in open source software.

RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).

Python module + R package to predict the reactions to a given text using a pretrained recurrent neural network.

Optimising chemical reactions using machine learning

A graph neural network for the prediction of bond dissociation energies for molecules of any charge.

Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.

Energy-based modeling of chemical reactions

The objective of this work is to develop machine learning (ML) methods that can accurately predict adverse drug reactions (ADRs) using the databases SIDER and OFFSIDES.

A data-driven tool to predict the reaction order of homogeneous gas-phase reactions. Includes machine learning experiments on the NIST Chemical Kinetics Database.

A GGNN-GWM based step-wise framework for Chemical Synthesis Prediction

Auto-regressive causal language model for molecule (SMILES) and reaction template (SMARTS) generation based on the Hugging Face implementation of OpenAI's GPT-2 transformer decoder model

GPT-3 attempts to predict & balance chemical reactions

ReactAIvate: A Deep Learning Approach to Predicting Reaction Mechanisms and Unmasking Reactivity Hotspots

For this problem, we proposed the use of bidirectional-LSTM’s(Long Short Term Memory) with 1-D CNN layer to classify patient notes at character level and at word level. The 1-D CNN is employed to scale back the training time. In order to improve the performance, we will also feed the network combined word embedding consisting of Pre-trained word2vec 100 dimension word embedding trained on the Twitter ADR Dataset database and character embedding generated by a Char-CNN for Named Entity Recognition

Discord bot for image generation using Stable Diffusion models. Interact with deep learning models through prompts and reactions.

Electrophysiology Chemical Drug Signal Identification, Fentanyl data...

? Discover the perfect meal based on your mood! ? Powered by OpenAI GPT-4 for intelligent dish recommendations. ? Modern UI/UX with engaging animations ? Built with React Native & Expo ? Fun emoji reactions.