Predictive Chemistry Augmented with Text Retrieval
☆25Feb 20, 2024Updated 2 years ago
Alternatives and similar repositories for textreact
Users that are interested in textreact are comparing it to the libraries listed below
Sorting:
- This repository contains a reaction condition selector.☆14Mar 19, 2025Updated last year
- A Sequence Generation Model for Reaction Diagram Parsing☆108Sep 18, 2023Updated 2 years ago
- ☆95Jul 11, 2024Updated last year
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆30Oct 17, 2023Updated 2 years ago
- Converts clipboard content to smiles and much more☆65Jun 6, 2024Updated last year
- From a chemical reaction image, detect and classify molecules, text and arrows by using the Vision Transformer DETR. Comparisons with we…☆62Mar 7, 2023Updated 3 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Mar 2, 2021Updated 5 years ago
- Robust Molecular Structure Recognition with Image-to-Graph Generation☆278Jan 9, 2025Updated last year
- A Sequence Generation Model for Reaction Diagram Parsing☆28Jun 30, 2025Updated 8 months ago
- ☆14Jul 24, 2023Updated 2 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".☆29Jul 17, 2023Updated 2 years ago
- AI4Chem is a code to test the ability of large language models (ChatGPT) to comprehend Chemistry.☆23Aug 5, 2025Updated 7 months ago
- ☆14Apr 16, 2024Updated last year
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Jan 17, 2022Updated 4 years ago
- Energy-based modeling of chemical reactions☆35Dec 15, 2022Updated 3 years ago
- Implementation of reaction condition prediction with Parrot☆20Nov 16, 2023Updated 2 years ago
- Enhanced Thompson Sampling☆12Apr 14, 2025Updated 11 months ago
- ChemNLP project☆172Updated this week
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- Probing the limitations of multimodal language models for chemistry and materials research☆23Feb 1, 2026Updated last month
- Autoregressive fragment-based diffusion for target-aware ligand design☆32May 23, 2024Updated last year
- ☆24Aug 24, 2023Updated 2 years ago
- Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…☆251Jun 27, 2025Updated 8 months ago
- ☆52May 24, 2024Updated last year
- Code for the combinatorial synthesis library variational auto-encoder (CSLVAE) as described in the paper, "An efficient graph generative …☆14Nov 17, 2023Updated 2 years ago
- Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language☆109Feb 26, 2026Updated 3 weeks ago
- Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Hu…☆31Aug 2, 2025Updated 7 months ago
- LillyMol Public Code☆132Aug 28, 2025Updated 6 months ago
- Official code repo for the paper "ChemToolAgent: The Impact of Tools on Language Agents for Chemistry Problem Solving" (previously "Tooli…☆19Jun 7, 2025Updated 9 months ago
- ☆14Mar 2, 2023Updated 3 years ago
- ☆14May 15, 2024Updated last year
- Large Language Models in Molecular Embeddings☆12May 1, 2024Updated last year
- This repository contains the information related to the benchmark study on openly available OCSR tools☆43May 3, 2021Updated 4 years ago
- Benchmark interpretation of QSAR models☆14Aug 12, 2022Updated 3 years ago
- ☆93Aug 23, 2024Updated last year
- Img2SMILES generator☆25Aug 29, 2021Updated 4 years ago
- A python module to plot secondary structure schemes☆25Updated this week