HPCLab-933 / Vina-CUDALinks
Vina-CUDA: further accelerating Autodock Vina with in-depth utilization of GPU hardware characteristics
☆30Updated last month
Alternatives and similar repositories for Vina-CUDA
Users that are interested in Vina-CUDA are comparing it to the libraries listed below
Sorting:
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆59Updated 2 months ago
- Analysis of alphafold and colabfold results☆28Updated 3 weeks ago
- Computer aided proximal decaging as a universal strategy for temporal protein activation☆23Updated last month
- PyDock Tutorial☆32Updated 6 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated last month
- A command-line interface and Python library for generating AlphaFold3 input files.☆34Updated 3 weeks ago
- Code for ApoDock☆20Updated 2 months ago
- ☆33Updated last year
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 3 months ago
- ☆19Updated 2 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 4 months ago
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆22Updated last year
- ☆18Updated last year
- Fully automated high-throughput MD pipeline☆61Updated last week
- ☆37Updated 3 months ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆23Updated 6 months ago
- Small_molecule_binder_design_use_pseudocycles☆18Updated 7 months ago
- ☆27Updated last week
- Analysis of contacts in molecular dynamics trajectories☆42Updated 5 years ago
- MD pharmacophores and virtual screening☆33Updated last year
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆27Updated 4 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year
- ☆38Updated last year
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago
- model builder for molecular dynamics simulations☆13Updated 2 years ago
- Molecular Dynamics for Experimentalists☆57Updated last week
- A collection of useful tutorials for Protein Science☆18Updated 9 years ago
- Use AutoDock for Ligand-based Virtual Screening☆22Updated 10 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated 2 weeks ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago