DECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging transformer architectures, the model converts chemical images int…

This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes

Llamole: Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning

Source Code for <Target-Side Data Augmentation for Sequence Generation>

Chemcrow

CReM: chemically reasonable mutations framework

Obtain and organize all feasible fragmentation of molecular methods

Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".

[EMNLP2022] Source code for Neural Machine Translation with Contrastive Translation Memories

[ICCV23] Bird’s-Eye-View Scene Graph for Vision-Language Navigation

XBM: Cross-Batch Memory for Embedding Learning

Pytorch implementation of the paper "Circle Loss: A Unified Perspective of Pair Similarity Optimization"

[ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaorui Shi*, An Zhang, Sihang Li, Enzhi Zhang, Xiang Wang, Kenji …

Chemical reaction data cleaning

RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactio…

Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool

Precise reaction atom-to-atom mapping with LocalMapper

Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)

[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback

SMILES Pair Encoding: A data-driven substructure representation of chemicals

Long-Term Rhythmic Video Soundtracker, ICML2023

[ECCV2022] D2M-GAN for music generation from dance videos