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:
- ☆25Updated last year
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆62Updated 8 months ago
- rule-based virtual polymer library generator☆46Updated last week
- Language-interfaced fine-tuning for chemistry☆44Updated last year
- ☆31Updated last month
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆77Updated 4 months ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆98Updated last year
- Prediction molecular structure from NMR spectra☆34Updated last year
- Unified machine learning model for predicting polymer properties through human language instructions☆19Updated 4 months ago
- ☆80Updated last year
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆28Updated last year
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated last year
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆70Updated 3 months ago
- Machine learning predictions of bond dissociation energy☆64Updated last year
- byteff source code☆74Updated 6 months ago
- Converts clipboard content to smiles and much more☆62Updated last year
- ChatGPT Chemistry Assistant☆84Updated 2 years ago
- Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint☆36Updated last year
- ☆55Updated 2 months ago
- ☆13Updated 2 years ago
- a curated list of resources for everyone interested in learning about digital chemistry☆26Updated 3 months ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆60Updated 3 months ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆43Updated last month
- A package for all physics based/related models☆53Updated last year
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆78Updated 2 months ago
- Calculate Sterimol Parameters from Sructure Input/Output Files☆23Updated 3 months ago
- DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …☆55Updated 10 months ago
- Message Passing Neural Networks for Molecule Property Prediction☆47Updated 2 years ago
- A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.☆34Updated last year
- G-SchNet extension for SchNetPack☆60Updated 10 months ago