Popular GitHub Repositories for Reaction Fingerprints

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.

Place recognition with WiFi fingerprints using Autoencoders and Neural Networks

Fingerprint-aware TLS reverse proxy: allow, deny, route, or deceive traffic using JA3, JA4 (+QUIC), JA4H, HTTP/2 fingerprints, and request metadata. Finch outsmarts bad traffic—blocking noise with high-fidelity fingerprints, tarpitting scanners, and dynamically deceiving attackers in real time.

Chemical Reaction Neural Network

Chemical-Reaction-Aware Molecule Representation Learning

A Multipurpose GPT Chatbot with AI Image Generator, Counting , Logging, Leveling, Reaction Roles, Boost Tracker, Welcomer, Ticket.

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

Auto chat, leave, join discord server, delete, reaction messages with AI. [100 STARS TO ENABLE AUTO CHAT WITH AI]

GREAD: Graph Neural Reaction-Diffusion Networks, ICML 2023

organic chemistry reaction prediction using NMT with Attention

Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015

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

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.

Exploring QSAR Models for Activity-Cliff Prediction

Extract Molecular SMILES embeddings from language models pre-trained with various objectives architectures.

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

Characterize Anything: A Wondrous Chemical Reaction between vision models and AI Characters

Project of drug interactions https://arxiv.org/pdf/2209.09941.pdf https://arxiv.org/pdf/2302.08680.pdf, NeurIPS 2022 (AI for Science)