aspuru-guzik-group / MERMaidLinks
Multimodal aid for mining of chemical reactions from PDFs
☆20Updated this week
Alternatives and similar repositories for MERMaid
Users that are interested in MERMaid are comparing it to the libraries listed below
Sorting:
- a curated list of resources for everyone interested in learning about digital chemistry☆24Updated last week
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Updated 8 months ago
- Probing the limitations of multimodal language models for chemistry and materials research☆16Updated 3 weeks ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆28Updated 9 months ago
- Simple User-Friendly Reaction Format☆17Updated 7 months ago
- ☆24Updated 7 months ago
- Synthesis generative model☆42Updated last month
- MoleculeBind is a machine-learning framework for chemistry, where we target unifying various molecular representations into one common la…☆18Updated last week
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆33Updated 2 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Updated 10 months ago
- Repository for the tmQMg dataset files and analysis scripts.☆13Updated 2 months ago
- ☆18Updated 10 months ago
- Mindless molecule generator in a Python package.☆24Updated last month
- ☆13Updated last year
- autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis☆16Updated 3 years ago
- fastsolv python package, website, and paper code☆18Updated last week
- ☆15Updated 3 years ago
- Zero Shot Molecular Generation via Similarity Kernels☆20Updated this week
- ☆39Updated 2 months ago
- Quick and dirty protonation☆16Updated 2 years ago
- A smile is all you need: Predicting limiting activity coefficients from SMILES with natural language processing☆23Updated 9 months ago
- ☆19Updated 2 years ago
- ☆10Updated last week
- Another Molecular String Representation☆10Updated 3 weeks ago
- ☆16Updated 2 weeks ago
- A Python package for data-mining the QM9 dataset☆17Updated 2 months ago
- A Python toolbox to work with molecular similarity☆40Updated 9 months ago
- An ecosystem for digital reticular chemistry☆48Updated 8 months ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆27Updated last year
- Prediction molecular structure from NMR spectra☆30Updated last year