jshmjs45 / data_for_chem
Data for our paper "Chemical Reaction Practicality Judgment via Deep Symbol Artificial Intelligence"
☆21Updated last year
Alternatives and similar repositories for data_for_chem
Users that are interested in data_for_chem are comparing it to the libraries listed below
Sorting:
- Predicting Organic Reactivity with LocalTransform☆46Updated last month
- Transformer-based model for chemical reactions☆77Updated 3 weeks ago
- ☆65Updated 3 years ago
- Extraction of action sequences from experimental procedures☆42Updated last year
- A Sequence Generation Model for Reaction Diagram Parsing☆73Updated last year
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆46Updated 4 years ago
- Precise reaction atom-to-atom mapping with LocalMapper☆36Updated last month
- ☆54Updated 2 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 3 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆33Updated 2 years ago
- ☆46Updated 2 years ago
- Contains results and data from Augmented Transformer article☆38Updated 4 years ago
- ☆47Updated 4 years ago
- ☆60Updated last year
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆123Updated 2 years ago
- ☆69Updated 11 months ago
- ☆30Updated 2 years ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆38Updated 8 months ago
- Action sequence prediction for arbitrary chemical equations☆26Updated 4 years ago
- ☆96Updated 4 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆39Updated last year
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆73Updated 3 years ago
- ☆55Updated last year
- Chemical-Reaction-Aware Molecule Representation Learning☆76Updated 2 years ago
- The implementation of Modof for Molecule Optimization☆28Updated last year
- ☆18Updated 5 months ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆66Updated last month
- ☆24Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago