bigginlab Goto Github PK
Name: Bigginlab
Type: Organization
Bio: Code from the Biggin Laboratory at the University of Oxford
Twitter: philbiggin
Location: University of Oxford
Blog: bigginlab.web.ox.ac.uk
Name: Bigginlab
Type: Organization
Bio: Code from the Biggin Laboratory at the University of Oxford
Twitter: philbiggin
Location: University of Oxford
Blog: bigginlab.web.ox.ac.uk
This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.
Learning Protein-Ligand Properties with Atomic Environment Vectors
Fork of the AEV-PLIG Repo
mirror of alchemicalitp from @xiki-tempula
Effects of induced polarization on the nanoscale behaviour of anions in synthetic carriers
Simulation data for "Characterization of a novel nicotinic acetylcholine receptor subtype preferentially sensitive to biogenic amines"
Bookshelf - a simple tool to help manage trajectory data.
CHAP is a tool for the functional annotation of ion channel structures:
Benchmark set for absolute binding free energy calculations of fragment optimisations
Python script that creates 2D protein-ligand interaction images
Mirror of the LINTools package with Laura Domicevica
MacroConf Dataset & Workflows to Assess Cyclic Peptide Solution Structures
Code from Will Glass for Voltage-gated Sodium channel analysis
Materials for the oxford computational biochemistry course including python
Datafiles for the MD tutorial of the OxCompBio course (for ARCUS use only)
PoreAnalyser is package written by @DSeiferth that expands HOLE results to consider asymmetry and estimate conductance
Mirror of Will Glass (github.com/WG150)'s code for protein orientation as recently published in Computational Investigation of Voltage-Gated Sodium Channel β3 Subunit Dynamics. Glass et al. Front Mol Biosci. 2020;7:40.
PyCEC
PyMEMENTO
A python module for performing Rocklin Correction.
📐 Symmetry-corrected RMSD in Python
Notebook contents for the TB5 Introduction to Python course
WaterDock-2.0 implementation with Akshay Sridhar
pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)
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.