schwallergroup / gollumLinks
☆17Updated 4 months ago
Alternatives and similar repositories for gollum
Users that are interested in gollum are comparing it to the libraries listed below
Sorting:
- Source code of MOLLEO☆47Updated last month
- Run OpenMM with forces provided by any Python program☆36Updated 8 months ago
- ChemPile project☆18Updated last month
- BayesOpt + LIFT☆72Updated 3 months ago
- Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.☆75Updated last year
- ☆15Updated 11 months ago
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆14Updated 2 years ago
- ☆41Updated last year
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Updated 2 years ago
- Fine-tuning Galactica and Gemma to operate on SMILES. Integrates into a molecular optimization algorithm.☆34Updated 6 months ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆39Updated last year
- This repository contains the implementation of the Multi-view Molecular Embedding with Late Fusion (MMELON) architecture. MMELON combines…☆37Updated 2 months ago
- ☆38Updated last month
- Preprocessing of datasets of chemical reactions: standardization, filtering, augmentation, tokenization, etc.☆13Updated 2 weeks ago
- Probing the limitations of multimodal language models for chemistry and materials research☆18Updated 3 months ago
- Extract structure-functions from data using XAI and LLMs☆24Updated 7 months ago
- Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules☆15Updated last year
- The Open Source Code for LLM4SD (Large Language Models for Scientific Synthesis, Inference and Explanation)☆116Updated 8 months ago
- Language models for drug discovery using torchrl☆93Updated this week
- Library for training Gaussian Processes on Molecules☆36Updated 3 years ago
- ALL Molecular ML papers from NeurIPS'24.☆59Updated 9 months ago
- ☆10Updated last year
- Sample-efficient Generative Molecular Design using Memory Manipulation☆60Updated 2 months ago
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆15Updated 3 weeks ago
- Message Passing Neural Networks for Molecule Property Prediction☆45Updated 2 years ago
- Geometric Deep Learning @ University of Cambridge☆25Updated 5 months ago
- A scientific reasoning model, dataset, and reward functions for chemistry.☆125Updated 2 months ago
- An open-source effort towards accessible polymer data☆37Updated 4 years ago
- BARTSmiles, generative masked language model for molecular representations☆34Updated last year
- ☆83Updated last month