lamalab-org / macbenchLinks
Probing the limitations of multimodal language models for chemistry and materials research
☆18Updated 2 weeks ago
Alternatives and similar repositories for macbench
Users that are interested in macbench are comparing it to the libraries listed below
Sorting:
- Molecular Property Prediction using GP with a SOAP kernel☆21Updated 4 years ago
- metallocage construction and binding affinity calculations☆14Updated 2 years ago
- ☆18Updated last year
- Multimodal aid for mining of chemical reactions from PDFs☆26Updated 2 months ago
- ☆15Updated 11 months ago
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆22Updated 6 months ago
- A new python package to visualize molecules in dots hover☆13Updated last year
- Repository for the featurization of the NiCOlit reaction dataset and machine learning model training for yield prediction☆14Updated 3 years ago
- https://arxiv.org/abs/2102.11439☆20Updated 4 years ago
- Computational Chemistry☆24Updated 2 months ago
- IBM Molecule Generation Experience (MolGX) is a tool to accelerate an AI-driven design of new materials.☆15Updated 2 years ago
- ☆20Updated 2 years ago
- A Python library for prediction of polymeric material properties.☆19Updated 3 years ago
- ☆14Updated 3 years ago
- Extract structure-functions from data using XAI and LLMs☆24Updated 7 months ago
- Library for training Gaussian Processes on Molecules☆36Updated 3 years ago
- ML benchmarking and pipeling framework☆15Updated 2 years ago
- fast functionalisation of molecules☆37Updated 3 years ago
- ☆28Updated last year
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆13Updated 3 years ago
- ☆31Updated last year
- Agentic framework for computational chemistry and materials science workflows☆20Updated this week
- Deep learning for compound price prediction☆19Updated last year
- ☆13Updated 2 years ago
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR and IR.☆20Updated 3 weeks ago
- ☆11Updated 2 weeks ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆34Updated 3 years ago
- ☆25Updated 7 months ago
- Message Passing Neural Networks for Molecule Property Prediction☆11Updated 5 years ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Updated 11 months ago