lamalab-org / macbenchLinks
Probing the limitations of multimodal language models for chemistry and materials research
☆18Updated 2 months 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
- ☆14Updated 9 months ago
- metallocage construction and binding affinity calculations☆14Updated 2 years ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆33Updated 2 years ago
- ☆19Updated 2 years ago
- Computational Chemistry☆22Updated this week
- Synthesis generative model☆46Updated 2 months ago
- Multimodal aid for mining of chemical reactions from PDFs☆23Updated 3 weeks ago
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆20Updated 4 months ago
- fastsolv python package, website, and paper code☆19Updated last month
- https://arxiv.org/abs/2102.11439☆20Updated 4 years ago
- A deep reinforcement learning library for conformer generation.☆19Updated last year
- ☆18Updated 11 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 2 years ago
- Extract structure-functions from data using XAI and LLMs☆22Updated 5 months ago
- Simple User-Friendly Reaction Format☆17Updated 8 months ago
- ☆14Updated 3 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Updated 11 months ago
- Zero Shot Molecular Generation via Similarity Kernels☆21Updated last month
- ☆27Updated last year
- MoleculeBind is a machine-learning framework for chemistry, where we target unifying various molecular representations into one common la…☆19Updated last week
- Library for training Gaussian Processes on Molecules☆36Updated 3 years ago
- ML benchmarking and pipeling framework☆15Updated 2 years ago
- ☆37Updated last year
- Store your chemical data in a single file!☆12Updated 2 months ago
- a curated list of resources for everyone interested in learning about digital chemistry☆25Updated last month
- GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆26Updated 2 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆11Updated 5 years ago
- ☆11Updated last year