Coder Social home page Coder Social logo

yangling0818 / binddm Goto Github PK

View Code? Open in Web Editor NEW
9.0 3.0 0.0 5.76 MB

[AAAI 2024] Binding-Adaptive Diffusion Models for Structure-Based Drug Design

Python 99.85% Shell 0.15%
3d-molecules-models diffusion-models protein-ligand-interactions sbdd

binddm's People

Contributors

yangling0818 avatar

Stargazers

 avatar  avatar  avatar  avatar  avatar  avatar  avatar  avatar

Watchers

 avatar  avatar  avatar

binddm's Issues

some question about fuction get_refine_net in molopt_score_model.py

when i study you code, i find the fuction get_refine_net is configured in the config file as โ€œuni_o2โ€œ, which seems to mean that the egnn module is not used in training, which is inconsistent with the description in the paper.
I'm not sure if there is something wrong with my understanding, and I hope someone can answer my questions.
thanks

Recommend Projects

  • React photo React

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

  • Vue.js photo Vue.js

    ๐Ÿ–– 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. ๐Ÿ“Š๐Ÿ“ˆ๐ŸŽ‰

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 โค๏ธ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.