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Name: zhuangwei zhang
Type: User
Company: Nanjing University
Name: zhuangwei zhang
Type: User
Company: Nanjing University
a tool for protein-ligand binding affinity prediction
iBlog
AutoDock Vina
A library of free open source icons for science illustrations in biology and chemistry
Batch generation of cyclic peptide sequences and structures
This is a PyMol script to calculate distance between center of mass of two proteins from a set of selected residues.
some scripts for analysis of MD and CADD. And some tutorials.
Fraction of Common Contacts Clustering Algorithm for Protein Structures
Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including virtual screening, target identification, and QSAR.
Tool for visualizing protein secondary structure trajectories from gmx dssp's ss.dat files, inspired by a ResearchGate query.
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
tools for GROMACS
ColabFold on your local PC
Thesis research for predicting binding of mutated peptide ligands
This program is to analyse Per Residue Decomposition Resutls from MMPBSA.py program of AMBER MD package.
This Programme will help the scientific community using MMPBSA.py or MMPBSA.MPI scripts from AmberTools Package to extract energy values from output (*.dat) file.
The scripts here describe the process of producing a 100 ns Molecular Dynamics Simulation, the trajectory analysis and the calculations with the MMGBSA and MMPBSA methods. The scripts are writen for the AMBER suit.
南京大学自动打卡
南京大学学位论文XeLaTeX模板
A dependency-free cross-platform swiss army knife for PDB files.
PepFun 2.0: improved protocols for the analysis of natural and modified peptides
Peptide Virtual Screening Pipeline
Program for running end point free energy calculations on protein-ligand complexes using AMBER and its associated MMPBSA.py program. Requires only a protein and ligand structure as input.
A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations
Code for running RFdiffusion
Package Rosetta in Docker and Singularity with MPI supported.
An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculation.
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.