aspuru-guzik-group / MERMaidLinks
Multimodal aid for mining of chemical reactions from PDFs
☆29Updated 4 months ago
Alternatives and similar repositories for MERMaid
Users that are interested in MERMaid are comparing it to the libraries listed below
Sorting:
- Agentic framework for computational chemistry and materials science workflows☆37Updated last week
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆31Updated last year
- This is the repository corresponding to the TS-tools project.☆23Updated last month
- Mindless molecule generator in a Python package.☆39Updated 4 months ago
- A Python library for prediction of polymeric material properties.☆20Updated 3 years ago
- A graph neural network for the prediction of bond dissociation energies for molecules of any charge.☆64Updated last month
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆28Updated last year
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆27Updated this week
- ☆41Updated last month
- ☆53Updated 2 weeks ago
- ☆15Updated 4 years ago
- Zero Shot Molecular Generation via Similarity Kernels☆28Updated 2 months ago
- AIMNet-NSE model☆46Updated last year
- ☆12Updated 2 years ago
- Code for the paper "JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design"☆85Updated 3 years ago
- rule-based virtual polymer library generator☆46Updated last month
- A package for all physics based/related models☆53Updated last year
- A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.☆34Updated last year
- Prediction molecular structure from NMR spectra☆34Updated last year
- ☆15Updated 3 weeks ago
- a curated list of resources for everyone interested in learning about digital chemistry☆28Updated last month
- tmQM dataset files☆56Updated 7 months ago
- Python program for modelling and simulating polymers.☆39Updated last week
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆42Updated 3 months ago
- MACE-OFF23 models☆48Updated 9 months ago
- ☆13Updated 2 years ago
- ☆34Updated 3 months ago
- The architector python package - for 3D metal complex design. C22085☆70Updated 2 months ago
- MLP training for molecular systems☆54Updated last month
- open data sets for machine learning pertaining to porous materials☆27Updated last year