sasa

a python package for the interfacial analysis of molecular simulations

The first tensorrt implementation for point-based 3d detector, i.e., 3DSSD,SASA,IA-SSD.

High-performance SASA (Solvent Accessible Surface Area) calculation in Zig with Python bindings

This project helps find out soil composition on other planets to find out if they're habitable or not.

improved calculation of protein's solvent accessible surface area and much more protien data bank related tools

Lightweight Python utility for calculating Solvent Accessible Surface Area (SASA) and pLDDT confidence metrics for AlphaFold2 protein binding pockets.

A command-line pipeline for predicting and characterising protein-protein interactions using AlphaFold3

Step-by-step GROMACS workflow for protein molecular dynamics simulations

Rust version of Voronota-LT