kjwallace / DiffDock_GPULinks
Dockerized Version of the DiffDock model from MIT
☆13Updated 2 years ago
Alternatives and similar repositories for DiffDock_GPU
Users that are interested in DiffDock_GPU are comparing it to the libraries listed below
Sorting:
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 3 months ago
- The official codebase of peptidy, a peptide processing tool for machine learning.☆33Updated 4 months ago
- ☆21Updated 4 months ago
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆20Updated 10 months ago
- MEGADOCK on Google Colaboratory☆17Updated last year
- ☆26Updated 3 years ago
- Official Implementation of CompassDock☆20Updated 11 months ago
- A tool for 2D protein visualization aimed at improving the comparability of protein structures through standardized 2D visualizations.☆18Updated last month
- ☆13Updated 10 months ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆26Updated last month
- Plugin for folding sequences directly in PyMOL☆27Updated last month
- Code for ApoDock☆20Updated 5 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆27Updated this week
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year
- Extract the PAE & pLDDT value of Alphafold2 from .pkl to .png, .csv & .pdb file.☆22Updated 3 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆23Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 6 months ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated 3 months ago
- Cloud-based Drug Binding Structure Prediction☆38Updated 6 months ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 5 months ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated 2 years ago
- ☆21Updated 2 years ago
- ☆21Updated last year
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆30Updated last week
- The code was developed for training diverse ML and DL models to predict PROTACs degradation. Data cleaning for two public datasets, PROTA…☆12Updated last year
- Some scripts that I keep using over and over.☆20Updated 2 months ago
- ☆26Updated last month
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆25Updated 2 years ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆43Updated 2 years ago