FreeSASA Python Module
☆60Aug 4, 2025Updated 9 months ago
Alternatives and similar repositories for freesasa-python
Users that are interested in freesasa-python are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- C-library for calculating Solvent Accessible Surface Areas☆188May 6, 2026Updated 2 weeks ago
- A bash script for an automated Rosetta Abinitio folding simulation on an HPC☆11Aug 29, 2020Updated 5 years ago
- A tutorials suite for BioSimSpace.☆37Oct 22, 2025Updated 6 months ago
- ☆16Dec 24, 2016Updated 9 years ago
- Tutorials on doing AMBER based Metadynamics and Gaussian Accelerated MD (GaMD)☆12Dec 1, 2025Updated 5 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- bakerlab pymol scripts☆26Feb 6, 2020Updated 6 years ago
- Molecular dynamics workflow framework in python.☆13Nov 15, 2022Updated 3 years ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated last year
- Analysis of non-covalent interactions in MD trajectories☆69Jan 3, 2025Updated last year
- Simple library for reading trajectory coordinates☆18Oct 5, 2016Updated 9 years ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆138Nov 11, 2025Updated 6 months ago
- Tool to predict water molecules placement and energy in ligand binding sites☆35Sep 16, 2025Updated 8 months ago
- A Python toolkit for the analyis of lipid membrane simulations☆35Oct 24, 2025Updated 6 months ago
- Data visualizations for biomolecular dynamics☆17Oct 30, 2018Updated 7 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Apr 27, 2023Updated 3 years ago
- A unified and modular interface to homology modelling software☆12Sep 27, 2023Updated 2 years ago
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆190Sep 4, 2025Updated 8 months ago
- Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.☆16Dec 20, 2022Updated 3 years ago
- A Python API for the RCSB Protein Data Bank (PDB)☆336May 11, 2026Updated last week
- Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets☆13Dec 19, 2017Updated 8 years ago
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆103Jun 9, 2025Updated 11 months ago
- PDBFixer fixes problems in PDB files☆647Mar 10, 2026Updated 2 months ago
- Implementation of methods to sample from Boltzmann distributions☆22Jan 24, 2023Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Fast and accurate protein domain segmentation using Invariant Point Attention☆46May 22, 2025Updated 11 months ago
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆14Nov 14, 2025Updated 6 months ago
- Using Gomacs from IPython notebook☆20Apr 8, 2014Updated 12 years ago
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆28May 4, 2026Updated 2 weeks ago
- Parametric Building of de novo Functional Topologies☆44Mar 11, 2022Updated 4 years ago
- Parallel algorithms for MDAnalysis☆31Aug 2, 2024Updated last year
- Predict the binding affinity of protein-protein complexes from structural data☆188Oct 3, 2025Updated 7 months ago
- to assess structural quality of RNA using 3D CNN☆15Aug 17, 2018Updated 7 years ago
- Contrastive learning of protein representations with graph neural networks for structural and functional annotations☆11Apr 23, 2023Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A python implementation of pdb2oniom for QM/MM (ONIOM) calculations☆12Oct 2, 2025Updated 7 months ago
- Parameter/topology editor and molecular simulator☆451Apr 9, 2026Updated last month
- Main repository for METAGUI3☆21Jun 19, 2021Updated 4 years ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆43May 15, 2024Updated 2 years ago
- ☆12May 3, 2025Updated last year
- pKa estimates for proteins using an ensemble approach☆30Jul 11, 2025Updated 10 months ago
- Automated Adaptive Absolute alchemical Free Energy calculator☆118May 1, 2026Updated 2 weeks ago