urban233 / PySSALinks
Python rich client for visual protein Sequence to Structure Analysis
☆18Updated last month
Alternatives and similar repositories for PySSA
Users that are interested in PySSA are comparing it to the libraries listed below
Sorting:
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 6 months ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Updated 3 years ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆22Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 7 months ago
- ☆12Updated 9 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 3 months ago
- ☆23Updated 7 months ago
- ☆51Updated 4 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 11 months ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Updated 6 months ago
- ☆12Updated 2 years ago
- Code for ApoDock☆20Updated 5 months ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆12Updated 2 years ago
- ☆17Updated last month
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆15Updated last month
- Deep generative modeling of protein structural ensembles☆25Updated 6 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆40Updated 3 months ago
- ☆13Updated last year
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆17Updated 2 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 11 months ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆19Updated 10 months ago
- Neural Iterative Selection-Expansion using LASErMPNN and Boltz-2x☆24Updated last month
- ☆11Updated last year
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆24Updated 2 months ago
- WaterDock-2.0 implementation with Akshay Sridhar☆16Updated last year
- A Light-Weight And Interpretable Molecular Docking Model☆24Updated 10 months ago
- ☆38Updated 3 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆15Updated 8 months ago
- A Python framework for the rapid modeling of glycans☆17Updated 7 months ago
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆16Updated 2 weeks ago