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Name: owen vickery
Type: User
Name: owen vickery
Type: User
VMD configuration files
Antibody Binding Mutational Database
AbLang: A language model for antibodies
adds 2nd column of input (eg. rmsf.xvg each line corresponding to residue) to beta factor column of pdb.
adding virtual sites to system
AlphaFold2 non-docker setup
Code for "AmorProt: Amino Acid Molecular Fingerprints Repurposing-based Protein Fingerprint" (https://doi.org/10.1021/acs.biochem.3c00253)
checks for atom overlaps, and shifts any overlapping atoms
open source repository
Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)
The Database of binding Affinity Change Upon Mutations in protein complexes
writes out rmsd and rmsf to protein bfac
Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..
Google Research
Martini 3 small-molecule database
Repository of the data for PLUMED Masterclass 21.4
A script for analysing well tempered metadynamics
Package for reading, analysis and visualization of metadynamics HILLS
Nudged-Elastic Band implementation in python
Trainable PyTorch reproduction of AlphaFold 2
PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
A python toolkit for analysing membrane protein-lipid interactions.
Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
automated setup of martini membranes using the self assembly method
writes the deformation of a membrane over time, using the z coordinate height
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
updating stride to work with lipoproteins
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.