urban233 / PySSALinks
Python rich client for visual protein Sequence to Structure Analysis
☆18Updated 3 months ago
Alternatives and similar repositories for PySSA
Users that are interested in PySSA are comparing it to the libraries listed below
Sorting:
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆13Updated 2 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 10 months ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Updated 10 months ago
- Code for ApoDock☆21Updated 9 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated last year
- ☆13Updated 2 years ago
- scripts to find PBD structures for cancer driver proteins☆31Updated last month
- ☆19Updated 2 weeks ago
- A Multi-Task Generative model for Structure-Based Drug Design☆57Updated this week
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆18Updated 5 months ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Updated 4 years ago
- ☆26Updated 11 months ago
- ☆12Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 7 months ago
- ☆13Updated 2 years ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆26Updated 2 years ago
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆20Updated last year
- Lightweight induced fit docking☆21Updated 2 years ago
- ☆53Updated 8 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆19Updated last year
- ☆21Updated last year
- A Python framework for the rapid modeling of glycans☆18Updated 3 months ago
- Weighted Ensemble Data Analysis and Plotting☆25Updated last month
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆21Updated last year
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 9 months ago
- The official GitHub repository for the Nature Communications paper "Computational Design of Generalist Cyclopropanases with Stereodiverge…☆11Updated this week
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆17Updated last year
- A Light-Weight And Interpretable Molecular Docking Model☆24Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆22Updated last year
- WaterDock-2.0 implementation with Akshay Sridhar☆21Updated 2 years ago