miscellaneous-11

3D Geometry Prediction

3260 papers • 126 benchmarks • 313 datasets

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Benchmarks

These leaderboards are used to track progress in 3d-geometry-prediction-45

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Molecule3D val

Molecule3D test

Libraries

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Use these libraries to find 3d-geometry-prediction-45 models and implementations

Datasets

Molecule3D

DrivAerNet

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Most implemented papers

Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs

Maho Nakata, Zhao Xu, Youzhi Luo, Xuan Zhang, Xinyi Xu, Yaochen Xie, Meng Liu, Kaleb Dickerson, Cheng Deng, Shuiwang Ji•Wed Sep 29 2021

This work proposes to predict the ground-state 3D geometries from molecular graphs using machine learning methods using density functional theory (DFT), and implements two baseline methods that either predict the pairwise distance between atoms or atom coordinates in 3D space.

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Hierarchical Surface Prediction for 3D Object Reconstruction

Jitendra Malik, Shubham Tulsiani, Christian Häne•Sun Apr 02 2017

This work proposes a general framework, called hierarchical surface prediction (HSP), which facilitates prediction of high resolution voxel grids, and shows that high resolution predictions are more accurate than low resolution predictions.

341 0

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Uni-Mol: A Universal 3D Molecular Representation Learning Framework

Zhewei Wei, Guolin Ke, Linfeng Zhang, Hongteng Xu, G. Zhou, Zhifeng Gao, Qiankun Ding, Hang Zheng•Sat Dec 31 2022

Uni-Mol is a universal MRL framework that significantly enlarges the representation ability and application scope of MRL schemes, and achieves superior performance in 3D spatial tasks, including protein-ligand binding pose prediction, molecular conformation generation, etc.

490 0

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Point Cloud Diffusion Models for Automatic Implant Generation

Julia Wolleb, P. Cattin, Paul Friedrich, Florentin Bieder, F. Thieringer•Mon Mar 13 2023

A novel approach for implant generation based on a combination of 3D point cloud diffusion models and voxelization networks is proposed, which can propose an ensemble of different implants per defect, from which the physicians can choose the most suitable one.

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