gbyuvd/ChemFIE-BED-faiss-demo
Demonstration of ChemFIE-BED's Use for Fast Molecular Similarity Search on Large Natural Product SELFIES Dataset
No commits in the last 6 months.
Stars
—
Forks
—
Language
Jupyter Notebook
License
—
Category
Last pushed
Sep 08, 2025
Commits (30d)
0
Get this data via API
curl "https://pt-edge.onrender.com/api/v1/quality/ml-frameworks/gbyuvd/ChemFIE-BED-faiss-demo"
Open to everyone — 100 requests/day, no key needed. Get a free key for 1,000/day.
Higher-rated alternatives
deepmodeling/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
chemprop/chemprop
Message Passing Neural Networks for Molecule Property Prediction
mir-group/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
CederGroupHub/chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling...
microsoft/mattersim
MatterSim: A deep learning atomistic model across elements, temperatures and pressures.