Code Monkey home page Code Monkey logo

esthermoses's Projects

acpype icon acpype

Please use OFFICIAL repo: https://github.com/alanwilter/acpype

chemshell-qmmm-protein-setup icon chemshell-qmmm-protein-setup

MM and QM/MM setup for a metalloprotein using GROMACS, Chemshell and ORCA (Using the CHARMM forcefield (both in GROMACS and with Chemshell) and the ORCA code as QM code for Chemshell.)

dockingml icon dockingml

A package for MD, Docking and Machine learning drug discovery pipeline

onionnet icon onionnet

A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction

onionnet-2 icon onionnet-2

OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.

qvina icon qvina

Accurately speed up AutoDock Vina

scripts icon scripts

Personal Script Library- These scripts are subject to change and breakage, early and often.

Recommend Projects

  • React photo React

    A declarative, efficient, and flexible JavaScript library for building user interfaces.

  • Vue.js photo Vue.js

    🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.

  • Typescript photo Typescript

    TypeScript is a superset of JavaScript that compiles to clean JavaScript output.

  • TensorFlow photo TensorFlow

    An Open Source Machine Learning Framework for Everyone

  • Django photo Django

    The Web framework for perfectionists with deadlines.

  • D3 photo D3

    Bring data to life with SVG, Canvas and HTML. 📊📈🎉

Recommend Topics

  • javascript

    JavaScript (JS) is a lightweight interpreted programming language with first-class functions.

  • web

    Some thing interesting about web. New door for the world.

  • server

    A server is a program made to process requests and deliver data to clients.

  • Machine learning

    Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.

  • Game

    Some thing interesting about game, make everyone happy.

Recommend Org

  • Facebook photo Facebook

    We are working to build community through open source technology. NB: members must have two-factor auth.

  • Microsoft photo Microsoft

    Open source projects and samples from Microsoft.

  • Google photo Google

    Google ❤️ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.