CambridgeMolecularEngineering / chemdataextractor2Links
ChemDataExtractor Version 2.0
☆169Updated 6 months ago
Alternatives and similar repositories for chemdataextractor2
Users that are interested in chemdataextractor2 are comparing it to the libraries listed below
Sorting:
- molSimplify code☆195Updated 2 weeks ago
- ☆80Updated 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
- Example scripts using the CSD Python API☆77Updated 2 weeks ago
- Text mining of chemical reactions☆107Updated 10 months ago
- ChatGPT Chemistry Assistant☆84Updated 2 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆109Updated last year
- polyBERT: A chemical language model to enable fully machine-driven ultrafast polymer informatics☆66Updated last year
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆28Updated last year
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆79Updated 2 weeks ago
- Codes for text-mined solid-state reactions dataset☆77Updated last year
- The functions of superalloyDigger toolkit include batch downloading documents in XML and TXT format from the Elsevier database, locating …☆60Updated 2 months ago
- automated reaction profile generation☆187Updated last month
- Extracts data from tables with complicated structures.☆16Updated 6 months ago
- This repository contains the code for https://decimer.ai☆48Updated last year
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆167Updated last week
- EPFL CH-457 "AI for chemistry"☆207Updated 4 months ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆62Updated 8 months ago
- A Python package for calculating molecular features☆179Updated 2 weeks ago
- Chemical structure detection and segmentation tool for Journal articles.☆117Updated last month
- ☆71Updated 9 months ago
- ☆223Updated last month
- ☆32Updated 2 months ago
- Robust Molecular Structure Recognition with Image-to-Graph Generation☆228Updated 8 months ago
- AI-enhanced computational chemistry☆109Updated last month
- Python wrapper for the IBM RXN for Chemistry API☆215Updated last week
- Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections☆149Updated last week
- ☆147Updated last year
- Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.☆106Updated 2 weeks ago
- An object-aware diffusion model for generating chemical reactions☆138Updated last year