MentenAI / menten_gcnLinks
☆12Updated 4 years ago
Alternatives and similar repositories for menten_gcn
Users that are interested in menten_gcn are comparing it to the libraries listed below
Sorting:
- Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation☆124Updated 2 years ago
- dMaSIF implementation for google colab☆32Updated 2 years ago
- Graph neural network for generating novel amino acid sequences that fold into proteins with predetermined topologies.☆60Updated 4 years ago
- TMol☆43Updated last week
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆76Updated last year
- ☆107Updated last year
- Dataset and package for working with protein-protein interactions in 3D☆96Updated 4 months ago
- Directed evolution of proteins in sequence space with gradients☆89Updated last year
- The MinHashed Atom Pair fingerprint of radius 2☆117Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆41Updated last year
- Structure prediction of alternative protein conformations☆78Updated 6 months ago
- RXN for biochemical reactions☆70Updated 2 years ago
- Deep learning for protein science☆36Updated last year
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆98Updated last year
- A Python library for structural cheminformatics☆102Updated 4 months ago
- Protein design and variant prediction using autoregressive generative models☆111Updated last year
- ☆35Updated 3 years ago
- Peptide optimization with Machine Learning☆77Updated 2 years ago
- Improved antibody structure-based design using inverse folding☆135Updated 3 weeks ago
- Protein Sequence Design with Deep Learning and Tooling like Monte Carlo Sampling and Analysis☆59Updated last month
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆91Updated 3 months ago
- The software system of improving AlphaFold2- and AlphaFold-Multimer-based protein tertiary & quaternary structure prediction. It was deve…☆30Updated last year
- Reaction SMILES-AA mapping via language modelling☆29Updated last year
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆69Updated 6 months ago
- Learning Universal Representations of Intermolecular Interactions with ATOMICA☆175Updated 2 months ago
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆104Updated 10 months ago
- Code for our paper "Protein sequence design with a learned potential"☆79Updated 2 years ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆47Updated 8 months ago
- ☆112Updated 2 years ago
- mdml: Deep Learning for Molecular Simulations☆47Updated 4 months ago