aethertier / secstructartistLinks
A python module to plot secondary structure schemes
☆25Updated last year
Alternatives and similar repositories for secstructartist
Users that are interested in secstructartist are comparing it to the libraries listed below
Sorting:
- ☆33Updated 10 months ago
- ☆67Updated 2 years ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆71Updated 7 months ago
- Open-source tool to generate 3D-ready small molecules for virtual screening☆63Updated 2 weeks ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆52Updated 3 months ago
- Simple protein-ligand complex simulation with OpenMM☆87Updated last year
- Fully automated high-throughput MD pipeline☆67Updated this week
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆83Updated last month
- ☆68Updated last year
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆45Updated 4 years ago
- The public versio☆61Updated 2 years ago
- Random Acceleration Molecular Dynamics in GROMACS☆39Updated last year
- BitBIRCH clustering algorithm☆90Updated 3 weeks ago
- PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods☆79Updated 2 years ago
- Tool to predict water molecules placement and energy in ligand binding sites☆28Updated last week
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆25Updated 3 months ago
- Force Fields☆64Updated 6 months ago
- Quick mapping of Uniprot sequences to PDB structures☆32Updated 4 months ago
- The Guest HOst Affinity Tool (GHOAT.py) is a fully automated tool for absolute binding free energy calculations on guest-host systems.☆19Updated 3 months ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆42Updated last month
- MDANCE is a flexible n-ary clustering package for all applications.☆70Updated last month
- An OpenMM plugin that implements the Alchemical Transfer Potential☆40Updated 2 years ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆27Updated this week
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆20Updated last year
- Tutorial on the setup and simulation of a membrane protein with AMBER Lipid21 and PACKMOL-Memgen☆66Updated 2 years ago
- ☆84Updated last year
- Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range☆41Updated 2 weeks ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 5 months ago
- Tool suite for analysing molecular dynamics trajectories using network analysis and PRS☆50Updated 2 months ago