pymol 开源项目推荐（213 个）

rdk /p2rank

P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.

Runchuan-BU /BioClaw

AI-Powered Bioinformatics Research Assistant. Built on OpenClaw.

cgohlke /pymol-open-source-wheels

Pymol-open-source wheels for Python on Windows.

cbalbin-bio /pymol-color-alphafold

PyMOL extension to color AlphaFold structures by confidence (pLDDT).

BGI-SynBio /PyMOL-PUB

Rapid generation of high-quality structure figures for publication with PyMOL-PUB

MooersLab /pymolshortcuts

The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websearches from within PyMOL as well as many other convienent functions that make work in PyMOL more productive..

pymodproject /pymod

PyMod 3 - sequence similarity searches, multiple sequence/structure alignments, and homology modeling within PyMOL.

paiardin /DockingPie

A Consensus Docking Plugin for PyMOL

DrugClaw /DrugClaw

💊 AI Research Assistant for Accelerated Drug Discovery. 🦞

Valdes-Tresanco-MS /AMDock

(Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina

Valdes-Tresanco-MS /AMDock-win

(Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina

ding-lab /hotspot3d

3D hotspot mutation proximity analysis tool

liyigerry /gmx

molecular dynamics simulation and analysis. 分子动力学模拟和分析。

smutao /PyVibMS

A PyMOL plugin for visualizing vibrations in molecules and solids

MooersLab /pymolsnips

Pymolsnips is a library of PyMOL scripting language code fragments for several popular text editors.

KodyKlupt /PromptMOL

Control PyMOL with natural language prompts using an LLM to make better figures, analyze structures, and more...

wrf /pdbcolor

Python code to color a PDB structure based on parameters from a multiple sequence alignment

patonlab /wSterimol

Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents

ferritin-bio /ferritin

protein utilities in Rust

BioComputingUP /ring-pymol

This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua