MISATO-dataset

community

Request to join this org

AI & ML interests

Structure based drug discovery

Organization Card

Community About org cards

⚛️ Vision:

We are a drug discovery community project 🚀

highest possible accuracy for ligand molecules
represent the systems dynamics in reasonable timescales
innovative AI models for drug discovery predictions
lets build useful and fun spaces for everyone

Lets crack the 100+ ns MD, 30000+ protein-ligand structures and a whole new world of AI spaces for drug discovery together.

Check out the paper!

💜 Community

Want to get hands-on for drug discovery using AI? Join our discord server!

You can freely download the MISATO-dataset from Zenodo:

spaces 3

Running on Zero

Conformity Protein Dynamics

use the ESM3 model to predict protein structures

QM Properties Of Molecules

Adaptability protein dynamics

models

None public yet

datasets

None public yet