qai222 / LLM_organic_synthesis
☆25Updated 11 months ago
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 9 months ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆52Updated 4 months ago
- a curated list of resources for everyone interested in learning about digital chemistry☆23Updated last month
- rule-based virtual polymer library generator☆36Updated this week
- A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.☆33Updated last year
- Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint☆32Updated 8 months ago
- Converts clipboard content to smiles and much more☆61Updated 11 months ago
- ☆13Updated last year
- Message Passing Neural Networks for Molecule Property Prediction☆39Updated 2 years ago
- ☆17Updated 5 months ago
- Chemistry-related Python utilities used in the RXN universe☆25Updated 9 months ago
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆75Updated this week
- Language-interfaced fine-tuning for chemistry☆38Updated last year
- ☆51Updated 3 weeks ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆33Updated 5 months ago
- Unified machine learning model for predicting polymer properties through human language instructions☆16Updated last week
- ☆71Updated 10 months ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆71Updated 4 months ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆26Updated last year
- ☆29Updated 9 months ago
- Simple User-Friendly Reaction Format☆17Updated 6 months ago
- Implicit Solvent Approach Based on Generalised Born and Transferable Graph Neural Networks for Molecular Dynamics Simulations☆37Updated 2 weeks ago
- ☆14Updated last year
- Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents☆29Updated 2 years ago
- Automated machine learning protocols that start from CSV databases of descriptors or SMILES and produce publication-quality results in Ch…☆47Updated this week
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆23Updated 8 months ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆60Updated last year
- Molecular Library Toolbox☆58Updated last month
- Message Passing Neural Networks for Atomic/Bond Property Prediction☆17Updated 4 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆34Updated last year