bencree Goto Github PK
Name: Ben Cree
Type: User
Bio: COMPUTATIONAL CHEMISTRY / DRUG DESIGN
Twitter: ChemCree
Blog: www.bencree.xyz
Name: Ben Cree
Type: User
Bio: COMPUTATIONAL CHEMISTRY / DRUG DESIGN
Twitter: ChemCree
Blog: www.bencree.xyz
Dashboard for collaborative project at SCS Spring School 2023
multithreaded and custom scoring function support for active learning
Integration of FEgrow into an active learning cycle, based on the ModAL library & google research's FEP paper
Data and scripts required to generate the plots for 'Active learning driven prioritisation of compounds from on-demand libraries targeting the SARS-CoV-2 main protease'
Google active learning
ml-textbook
Parameter/topology editor and molecular simulator
Workflow for an MD simulation of a protein-ligand complex in water with openmm
A workflow for analysing MD simulations of protein-ligand complexes, using MDAanalysis, gromacs & plip
chess engine implemented in pytorch
Script that generates a library of Rgroups (with * atom) to be added using rgroups, tries to IUPAC name if it can, else the filename is just the smiles string
Simulation Models for Thermotropic Bent-Core Liquid Crystals
Personal Blog of WxGuy
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.