qzlshy / ss_pssm_hhm
Protein secondary structure prediction use PSSM, HHBlits profiles and physio-chemical properties
☆9Updated 5 years ago
Related projects: ⓘ
- to assess structural quality of RNA using 3D CNN☆13Updated 6 years ago
- Python/TF1 implementation of DeepAccNet (https://www.biorxiv.org/content/10.1101/2020.07.17.209643v1)☆10Updated 4 years ago
- Computer aided proximal decaging as a universal strategy for temporal protein activation☆19Updated 5 years ago
- This repository contains scripts, data and jupyter notebooks used to produce the evaluation results in the BioPhi 2021 publication☆15Updated last year
- ☆13Updated 6 years ago
- Optimization of binding affinities in chemical space for drug discovery☆36Updated last year
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆15Updated 3 years ago
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆18Updated 5 years ago
- Codebase for our preprint using trRosetta to design proteins with discontinuous functional sites, found here: https://www.biorxiv.org/con…☆16Updated 2 years ago
- This script can clean up the disordered region in the AlphaFold DB structures to adapt it to the molecular docking, extract the sequence …☆14Updated last year
- Deep convolutional neural networks for protein contact map prediction☆23Updated 5 years ago
- ☆25Updated 4 years ago
- POOL (Peptide Optimization with Optimal Learning): code for "Discovering de novo peptide substrates for enzymes using machine learning"☆10Updated 5 years ago
- ☆18Updated last year
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆26Updated 4 months ago
- ☆24Updated last month
- iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…☆25Updated 2 years ago
- ☆34Updated 2 years ago
- Antibody Binding Mutational Database☆29Updated 5 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆21Updated 2 years ago
- A fork of Autodock Vina for DeltaVina scoring function☆8Updated 7 years ago
- De novo design of small molecule binding sites into proteins☆12Updated 3 years ago
- An MPI based parallel implementation of Autodock Vina☆16Updated 4 years ago
- Generates consistent PSSM and/or PDB files for protein-protein complexes☆17Updated 2 years ago
- calculating RMSD between 2 conformers with different atom names☆13Updated 3 years ago
- ☆17Updated 3 years ago
- Fast and easy contact prediction.☆35Updated 3 months ago
- a fast and accurate physical energy function extended from EvoEF for protein sequence design☆24Updated last year
- This repo contains the collection of codes to find designer interfacial mutations☆16Updated last year
- RDKit code for the JCIM article☆15Updated 11 years ago