Model: Derify/ChemBERTa-druglike
Author: Derify
Pipeline: fill-mask
Library: transformers
Tags: transformers, safetensors, roberta, fill-mask, ChemBERTa, cheminformatics, dataset:Derify/augmented_canonical_druglike_QED_43M, dataset:Derify/druglike, arxiv:2010.09885, arxiv:2209.01712, license:apache-2.0, model-index, endpoints_compatible, region:us
Card metadata: license: apache-2.0
datasets: Derify/augmented_canonical_druglike_QED_43M, Derify/druglike
metrics: roc_auc, rmse
library_name: transformers
tags: ChemBERTa, cheminformatics
pipeline_tag: fill-mask
model-index: name: Derify/ChemBERTa-druglike
results: task: type: text-classification
name: Classification (ROC AUC)
dataset: name: BACE
type: Derify/druglike
metrics: type: roc_auc
value: 0.8114
verified: no, task: type: text-classification
name: Classification (ROC AUC)
dataset: name: BBBP
type: Derify/druglike
metrics: type: roc_auc
value: 0.7399
verified: no, task: type: text-classification
name: Classification (ROC AUC)
dataset: name: TOX21
type: Derify/druglike
metrics: type: roc_auc
value: 0.7522
verified: no, task: type: text-classification
name: Classification (ROC AUC)
dataset: name: HIV
type: Derify/druglike
metrics: type: roc_auc
value: 0.7527
verified: no, task: type: text-classification
name: Classification (ROC AUC)
dataset: name: SIDER
type: Derify/druglike
metrics: type: roc_auc
value: 0.6577
verified: no, task: type: text-classification
name: Classification (ROC AUC)
dataset: name: CLINTOX
type: Derify/druglike
metrics: type: roc_auc
value: 0.966
verified: no, task: type: regression
name: Regression (RMSE)
dataset: name: ESOL
type: Derify/druglike
metrics: type: rmse
value: 0.8241
verified: no, task: type: regression
name: Regression (RMSE)
dataset: name: FREESOLV
type: Derify/druglike
metrics: type: rmse
value: 0.535
verified: no, task: type: regression
name: Regression (RMSE)
dataset: name: LIPO
type: Derify/druglike
metrics: type: rmse
value: 0.6663
verified: no, task: type: regression
name: Regression (RMSE)
dataset: name: BACE
type: Derify/druglike
metrics: type: rmse
value: 1.0105
verified: no, task: type: regression
name: Regression (RMSE)
dataset: name: CLEARANCE
type: Derify/druglike
metrics: type: rmse
value: 43.4499
verified: no
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Created: 2025-07-30 18:34:53