geemi725 / ChemLit-QALinks
☆19Updated 6 months ago
Alternatives and similar repositories for ChemLit-QA
Users that are interested in ChemLit-QA are comparing it to the libraries listed below
Sorting:
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆56Updated 5 months ago
- Building-block and reaction-aware SAScore☆13Updated 3 months ago
- Converts clipboard content to smiles and much more☆61Updated last year
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆24Updated 7 months ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆36Updated last month
- ☆51Updated last month
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆43Updated last week
- ☆25Updated last year
- Prediction molecular structure from NMR spectra☆30Updated last year
- ☆72Updated 10 months ago
- ☆12Updated 2 weeks ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆26Updated last year
- Chemical reaction data cleaning☆30Updated 3 years ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆51Updated 7 months ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆51Updated 3 weeks ago
- Chemistry-related Python utilities used in the RXN universe☆25Updated 10 months ago
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆21Updated 11 months ago
- This repository contains the code for https://decimer.ai☆44Updated last year
- GraphRXN☆28Updated 2 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆67Updated this week
- Precise reaction atom-to-atom mapping with LocalMapper☆36Updated 2 months ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆72Updated 2 weeks ago
- ☆30Updated 2 months ago
- MoleculeBind is a machine-learning framework for chemistry, where we target unifying various molecular representations into one common la…☆18Updated last week
- A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.☆33Updated last year
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆42Updated this week
- ☆13Updated last year
- Molecular Library Toolbox☆58Updated last week
- a curated list of resources for everyone interested in learning about digital chemistry☆24Updated last week
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆32Updated 3 months ago