brianhie / uncertaintyLinks
Learning with uncertainty for biological discovery and design
☆34Updated 2 years ago
Alternatives and similar repositories for uncertainty
Users that are interested in uncertainty are comparing it to the libraries listed below
Sorting:
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆70Updated last year
- An unofficial re-implementation of AntiBERTy, an antibody-specific protein language model, in PyTorch.☆25Updated last year
- dMaSIF implementation for google colab☆34Updated 2 years ago
- ☆110Updated 3 years ago
- ☆71Updated last year
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 3 years ago
- Computes a molecular graph for protein structures.☆58Updated last week
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated last year
- Guided Conditional Wasserstein GAN for De Novo Protein Design☆37Updated 4 years ago
- Variational autoencoder for protein sequences - add metal binding sites and generate sequences for novel topologies☆92Updated 2 years ago
- A Python 3 version of the protein descriptor package propy☆46Updated 2 years ago
- Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure☆52Updated 8 months ago
- ☆53Updated last year
- RXN for biochemical reactions☆71Updated 3 years ago
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆48Updated 2 years ago
- ☆35Updated 4 years ago
- An antibody-specific language model focusing on NGL prediction☆31Updated last year
- Machine learning models for antibody sequences in PyTorch☆41Updated 4 years ago
- A complete, open-source, end-to-end re-implementation of the Church Lab's low-N eUniRep in silico protein engineering pipeline presented …☆27Updated 5 years ago
- Enzyme datasets used to benchmark enzyme-substrate promiscuity models☆40Updated 4 years ago
- Graph neural network for generating novel amino acid sequences that fold into proteins with predetermined topologies.☆59Updated 4 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28Updated 4 years ago
- Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…☆37Updated 3 years ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- Reaction SMILES-AA mapping via language modelling☆29Updated last year
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- This repository implements Gibbs sampling with Graph-based Smoothing☆39Updated last year
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆70Updated 8 months ago
- Peptide optimization with Machine Learning☆77Updated 2 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago