aethertier / secstructartistLinks
A python module to plot secondary structure schemes
☆25Updated 2 years ago
Alternatives and similar repositories for secstructartist
Users that are interested in secstructartist are comparing it to the libraries listed below
Sorting:
- Fully automated high-throughput MD pipeline☆86Updated last week
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- ☆34Updated last year
- ☆69Updated 2 years ago
- ☆70Updated last year
- The public versio☆78Updated 2 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆45Updated last month
- Simple protein-ligand complex simulation with OpenMM☆91Updated 2 years ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆91Updated 6 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆66Updated 2 months ago
- Random Acceleration Molecular Dynamics in GROMACS☆42Updated last year
- The Guest HOst Affinity Tool (GHOAT.py) is a fully automated tool for absolute binding free energy calculations on guest-host systems.☆21Updated 8 months ago
- ☆15Updated this week
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆28Updated 2 months ago
- Open-source tool to generate 3D-ready small molecules for virtual screening☆76Updated 2 months ago
- ☆32Updated 2 years ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆72Updated 2 weeks ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆55Updated 6 months ago
- Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…☆59Updated 2 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆57Updated this week
- Tool suite for analysing molecular dynamics trajectories using network analysis and PRS☆53Updated 7 months ago
- An OpenMM plugin that implements the Alchemical Transfer Potential☆39Updated 2 years ago
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆60Updated last month
- Open-source tool for synthons-based library design.☆85Updated last year
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆37Updated this week
- rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It…☆65Updated 10 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆60Updated last month
- mdml: Deep Learning for Molecular Simulations☆48Updated 8 months ago
- Computational Chemistry Workflows☆56Updated 3 years ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆39Updated 2 months ago