xinghd142857 / PU-EPP
This repository contains the positive-unlabeled learning-based enzyme promiscuity prediction model as described in the paper Deep learning Enables Rapid Identification of Mycotoxin-degrading Enzymes.
☆14Updated 8 months ago
Related projects ⓘ
Alternatives and complementary repositories for PU-EPP
- ☆49Updated 8 months ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆36Updated 2 months ago
- ☆84Updated 2 years ago
- ☆65Updated 2 months ago
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆58Updated last month
- Rosetta Funclib☆20Updated 4 years ago
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆20Updated last year
- ☆94Updated last month
- ☆16Updated 6 months ago
- PyDock Tutorial☆30Updated 6 years ago
- ☆12Updated 2 months ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆59Updated last month
- A bunch of shell utilities for dealing the silent files☆53Updated 4 months ago
- ☆13Updated 9 months ago
- A dataset for training and benchmarking deep learning models for RNA structure prediction☆43Updated last week
- ☆12Updated last year
- Zero-shot prediction of mutation effects on protein function with multimodal deep representation learning☆41Updated 5 months ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆51Updated 3 weeks ago
- ☆37Updated 2 years ago
- Official repository of GENzyme☆14Updated last week
- Binding pocket optimization based on force fields and docking scoring functions☆30Updated 3 weeks ago
- Computer aided proximal decaging as a universal strategy for temporal protein activation☆21Updated 5 years ago
- GNN trained to predict changes in thermodynamic stability for protein point mutants☆125Updated 2 months ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆35Updated last year
- Small_molecule_binder_design_use_pseudocycles☆14Updated this week
- ☆62Updated 10 months ago
- ☆46Updated 9 months ago
- A compilation of deep learning methods for protein design☆94Updated 2 years ago
- ☆45Updated 5 months ago