zw-SIMM / SFTLLMs_for_ChemText_MiningLinks
☆26Updated 10 months ago
Alternatives and similar repositories for SFTLLMs_for_ChemText_Mining
Users that are interested in SFTLLMs_for_ChemText_Mining are comparing it to the libraries listed below
Sorting:
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated last year
- ☆78Updated last year
- ☆10Updated last year
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆31Updated 2 months ago
- This repository contains the code for https://decimer.ai☆47Updated last year
- Pytorch implementation of “MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction”☆20Updated 2 years ago
- Tools to train synthesis prediction models☆27Updated last year
- ☆27Updated 2 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆83Updated last year
- GraphRXN☆29Updated 2 years ago
- ☆59Updated last year
- Chemical reaction data cleaning☆30Updated 3 years ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆61Updated last year
- ☆17Updated 2 years ago
- ☆28Updated last year
- ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein- Specific Molecular Generation☆22Updated last year
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆24Updated 9 months ago
- The graph-convolutional neural network for pka prediction☆82Updated last year
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆52Updated last month
- Precise reaction atom-to-atom mapping with LocalMapper☆38Updated 4 months ago
- An atom-bond transformer-based message passing neural network for molecular property prediction.☆37Updated 2 years ago
- a multi-property optimization method.☆32Updated 8 months ago
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆25Updated 9 months ago
- structure-based explanation methods☆27Updated last year
- Downloads USPTO patents and finds molecules related to keyword queries☆64Updated last year
- ☆17Updated 2 years ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆62Updated 7 months ago
- VenomPred 2.0 API☆11Updated 5 months ago
- GNN, GCN, Molecular Solubility, RDKit, Cheminformatics☆44Updated 2 months ago
- The official repository of Uni-pKa☆65Updated 4 months ago