zw-SIMM / SFTLLMs_for_ChemText_MiningLinks
☆28Updated last year
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
- ☆80Updated last year
- Obtain and organize all feasible fragmentation of molecular methods☆33Updated 2 years ago
- Tools to train synthesis prediction models☆27Updated last year
- ☆28Updated last year
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆33Updated 3 months ago
- ☆61Updated last year
- ☆10Updated last year
- An atom-bond transformer-based message passing neural network for molecular property prediction.☆37Updated 2 years ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆62Updated 8 months ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆62Updated last year
- a multi-property optimization method.☆32Updated 9 months ago
- This repository contains the code for https://decimer.ai☆49Updated last year
- ☆27Updated 2 years ago
- Precise reaction atom-to-atom mapping with LocalMapper☆42Updated 5 months ago
- The graph-convolutional neural network for pka prediction☆88Updated last year
- GraphRXN☆29Updated 2 years ago
- structure-based explanation methods☆28Updated last year
- Transformer-based model for chemical reactions☆86Updated 5 months ago
- Pytorch implementation of “MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction”☆20Updated 2 years ago
- ☆50Updated last year
- This repository contains a reaction condition selector.☆10Updated 6 months ago
- Chemical reaction data cleaning☆30Updated 3 years ago
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆24Updated 11 months ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆64Updated last year
- Pretrained SMILES transformation model for finetuning for diverse molecular tasks.☆49Updated 3 years ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆45Updated this week
- A package to identify matched molecular pairs and use them to predict property changes.☆24Updated last year
- ☆13Updated 11 months ago
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆55Updated 2 months ago