qai222 / LLM_organic_synthesisLinks
☆26Updated last year
Alternatives and similar repositories for LLM_organic_synthesis
Users that are interested in LLM_organic_synthesis are comparing it to the libraries listed below
Sorting:
- ☆27Updated last year
- a curated list of resources for everyone interested in learning about digital chemistry☆33Updated 4 months ago
- Language-interfaced fine-tuning for chemistry☆46Updated 2 years ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆69Updated last year
- ☆35Updated 6 months ago
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆78Updated 8 months ago
- Prediction molecular structure from NMR spectra☆37Updated last year
- rule-based virtual polymer library generator☆47Updated 3 weeks ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆100Updated last year
- Unified machine learning model for predicting polymer properties through human language instructions☆26Updated 8 months ago
- Multimodal aid for mining of chemical reactions from PDFs☆33Updated 6 months ago
- Predicting molecular structure from Infrared (IR) Spectra☆27Updated last year
- A Python library for prediction of polymeric material properties.☆22Updated 3 years ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆30Updated 2 years ago
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆38Updated 2 months ago
- ☆89Updated last year
- byteff source code☆77Updated 10 months ago
- Machine learning predictions of bond dissociation energy☆66Updated last year
- Converts clipboard content to smiles and much more☆64Updated last year
- Chemist AI Agent for Rational Inverse Design of Materials☆42Updated 10 months ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆77Updated 7 months ago
- ☆13Updated 2 years ago
- Agentic framework for computational chemistry and materials science workflows☆48Updated last week
- Polymer property prediction with GNNs and deep set learning.☆25Updated 2 years ago
- G-SchNet extension for SchNetPack☆63Updated 2 months ago
- Simple User-Friendly Reaction Format☆18Updated last year
- AIMNet-NSE model☆46Updated 2 years ago
- Synthesis generative model☆48Updated 8 months ago
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆29Updated last year
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆84Updated last month