ur-whitelab / wazyLinks
Bayesian Optimization with Pretrained Protein Sequence Models
☆56Updated last year
Alternatives and similar repositories for wazy
Users that are interested in wazy are comparing it to the libraries listed below
Sorting:
- ☆32Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆54Updated this week
- PDBench is a dataset and software package for evaluating fixed-backbone sequence design algorithms.☆30Updated 2 years ago
- protein conformational spaces meet machine learning☆46Updated last month
- Structure prediction of alternative protein conformations☆76Updated 5 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆51Updated 2 months ago
- Building more accurate protein structures from backbone torsion angles☆14Updated 4 months ago
- mdml: Deep Learning for Molecular Simulations☆44Updated 2 months ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆61Updated 5 months ago
- ☆68Updated last year
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆30Updated last week
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- Python package to atom map, correct and suggest enzymatic reactions☆40Updated last year
- Files and utilities for protein-emoji☆21Updated 2 years ago
- Differentiable Pairing using Alignment-based Language Models☆23Updated last year
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆47Updated 2 weeks ago
- ☆45Updated 3 months ago
- dMaSIF implementation for google colab☆32Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆41Updated last year
- Some scripts that I keep using over and over.☆19Updated last month
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆73Updated 11 months ago
- A benchmark for 3D biomolecular structure prediction models☆63Updated 2 months ago
- ☆36Updated last year
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆53Updated last month
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆32Updated 2 years ago
- Protein Sequence Design with Deep Learning and Tooling like Monte Carlo Sampling and Analysis☆58Updated last week
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆46Updated last month
- Repository for Fast Non-autoregressive Inverse Folding with Discrete Diffusion☆17Updated last year
- ☆20Updated last year
- ☆48Updated 7 months ago