Model: Membrizard/ml_conformer_generator
Author: Membrizard
Library: mlconfgen
Tags: mlconfgen, onnx, molecular-generation, diffusion-models, cheminformatics, 3D-conformer, rdkit, non-commercial, en, dataset:ChEMBL, doi:10.57967/hf/5165, license:cc-by-nc-nd-4.0, model-index, region:us
Card metadata: license: cc-by-nc-nd-4.0
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tags: molecular-generation, diffusion-models, cheminformatics, 3D-conformer, rdkit, non-commercial
language: en
library_name: mlconfgen
datasets: ChEMBL
metrics: shape-tanimoto, validity, uniqueness, novelty, Fréchet Distance
model-index: name: ML Conformer Generator
results: task: type: molecular-generation
name: 3D Conformer Generation
dataset: name: ChEMBL (filtered)
type: molecules
metrics: name: Valid molecules
type: validity
value: 48-93%
verified: no, name: Chemical novelty
type: novelty
value: 99.84%
verified: no, name: Shape Tanimoto Similarity (avg)
type: shape-tanimoto
value: 53.32%
verified: no, name: Shape Tanimoto Similarity (max)
type: shape-tanimoto
value: 99.69%
verified: no, name: Average Synthesis Access score
type: sa_score
value: 3.18
verified: no, name: Unique molecules
type: uniqueness
value: 99.94%
verified: no, name: Fréchet Fingerprint Distance
type: Fréchet Distance
value: 4.13
verified: no
Likes: 1 | All-time downloads: 0
Created: 2025-04-06 09:13:36