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
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆98Updated last year
- a curated list of resources for everyone interested in learning about digital chemistry☆25Updated 2 months ago
- Prediction molecular structure from NMR spectra☆34Updated last year
- Language-interfaced fine-tuning for chemistry☆43Updated last year
- Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint☆34Updated 11 months ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆62Updated 7 months ago
- ☆31Updated 2 weeks ago
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆75Updated last month
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆27Updated 11 months ago
- rule-based virtual polymer library generator☆41Updated 2 weeks ago
- ChatGPT Chemistry Assistant☆85Updated 2 years ago
- ☆13Updated 2 years ago
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆77Updated 2 months ago
- byteff source code☆72Updated 5 months ago
- ☆77Updated last year
- Chemist AI Agent for Rational Inverse Design of Materials☆38Updated 4 months ago
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆77Updated last month
- G-SchNet extension for SchNetPack☆60Updated 9 months ago
- Python program for modelling and simulating polymers.☆39Updated 2 weeks ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated last year
- Polymer property prediction with GNNs and deep set learning.☆22Updated 2 years ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆58Updated last month
- Repository for predicting conductivities through Arrhenius parameters for polymer electrolytes.☆21Updated last year
- Converts clipboard content to smiles and much more☆61Updated last year
- Materials for the course Machine Learning for Molecular Engineering (3/7/10/20.C01/C51)☆23Updated 3 months ago
- Simple User-Friendly Reaction Format☆17Updated 9 months ago
- A package for all physics based/related models☆53Updated 10 months ago
- Message Passing Neural Networks for Molecule Property Prediction☆44Updated 2 years ago
- A graph neural network for the prediction of bond dissociation energies for molecules of any charge.☆63Updated 2 years ago