--- dataset_info: features: - name: id dtype: int64 - name: query_text dtype: string - name: candidates sequence: string - name: distances sequence: float64 - name: indices

Hugging Face2025-11-25 更新90

Benchmarking Data for Protein Structure Similarity Search Using Embeddings and Established Methods

蛋白质结构

相似性搜索

This dataset contains benchmarking results for evaluating protein structure similarity search using embedding-based methods in comparison with established tools such as TM-align, DALI, and Foldseek. R

DataCite Commons2025-08-28 更新50

Dataset used in the paper "Assessing the Extrapolation Capability of Template-free Retrosynthesis Models"

化学逆合成

机器学习

This repository provides the complete datasets, raw model predictions, and analysis scripts required to reproduce all results and figures presented in the paper " Assessing the Extrapolati

DataCite Commons2026-04-06 更新100

glmnet

广义线性模型

化学逆合成

This is the ranking model used in "a Bayesian retrosynthesis algorithm".

Figshare2020-03-09 更新50