Popular GitHub Repositories for Property

Message Passing Neural Networks for Molecule Property Prediction

A Comprehensive Survey of Forgetting in Deep Learning Beyond Continual Learning. TPAMI, 2024.

Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.

torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inverse design and representation learning.

entity2rec generates item recommendation using property-specific knowledge graph embeddings

Creepy stalking tool to process security camera motion triggered images and sort seen objects in different categories, detect license plates and faces. Has PWA ready web front end. Meant to make property monitoring faster without need to watch video recordings.

Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer

Official implementation of pre-training via denoising for TorchMD-NET

[CVPR 2024] Physical Property Understanding from Language-Embedded Feature Fields

We propose a conservative physics-informed neural network (cPINN) on decompose domains for nonlinear conservation laws. The conservation property of cPINN is obtained by enforcing the flux continuity in the strong form along the sub-domain interfaces.

Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch

Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natural language to chemical modeling and property prediction

LM-GVP: A Generalizable Deep Learning Framework for Protein Property Prediction from Sequence and Structure

?Samsung AI Challenge 2021 1? ???????

Machine Learning models for in vitro enzyme kinetic parameter prediction

Transformer Based Language Model for Peptide Property Prediction

[KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"

An atom-bond transformer-based message passing neural network for molecular property prediction.

Decor8 AI SDK for AI Interior Design And Virtual Property Staging

AI-powered assistant for a real estate agency that assists potential buyers and renters in finding their ideal property