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:
- ☆26Updated last year
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆63Updated 9 months ago
- ☆34Updated 2 months ago
- a curated list of resources for everyone interested in learning about digital chemistry☆27Updated 2 weeks ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆99Updated last year
- Language-interfaced fine-tuning for chemistry☆45Updated last year
- Prediction molecular structure from NMR spectra☆34Updated last year
- Unified machine learning model for predicting polymer properties through human language instructions☆21Updated 5 months ago
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆77Updated 4 months ago
- rule-based virtual polymer library generator☆46Updated 2 weeks ago
- ☆82Updated last year
- byteff source code☆75Updated 7 months ago
- AIMNet-NSE model☆46Updated last year
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated last year
- Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint☆36Updated last year
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆28Updated last year
- ChatGPT Chemistry Assistant☆85Updated 2 years ago
- Converts clipboard content to smiles and much more☆63Updated last year
- Polymer property prediction with GNNs and deep set learning.☆24Updated 2 years ago
- ☆56Updated 3 months ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆43Updated 2 months ago
- DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …☆55Updated 11 months ago
- Materials for the course Machine Learning for Molecular Engineering (3/7/10/20.C01/C51)☆24Updated 5 months ago
- G-SchNet extension for SchNetPack☆61Updated 11 months ago
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆80Updated 2 weeks ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆71Updated 4 months ago
- A package for all physics based/related models☆53Updated last year
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆79Updated 2 months ago
- ☆13Updated 2 years ago
- ☆22Updated 10 months ago