pypdb
EquiBind
| pypdb | EquiBind | |
|---|---|---|
| 1 | 2 | |
| 297 | 452 | |
| - | - | |
| 5.4 | 0.0 | |
| 2 months ago | about 1 year ago | |
| Python | Python | |
| MIT License | MIT License |
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pypdb
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How to mass-download the PDB files from UniProt for a protein using python?
Biopython, PDB API, Someone's else's implemention.
EquiBind
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[R] EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction
Github: https://github.com/HannesStark/EquiBind
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MIT Researchers Develop EquiBind: A Geometric Deep Learning Model That Becomes The Fastest Computational Molecular Docking Models
Continue reading | Checkout the paper, github link
What are some alternatives?
deepblast - Neural Networks for Protein Sequence Alignment
DiffLinker - DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
evodiff - Generation of protein sequences and evolutionary alignments via discrete diffusion models
DiffSBDD - A Euclidean diffusion model for structure-based drug design.
tape - Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology.
DeepInteract - A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)
BioJava - :book::microscope::coffee: BioJava is an open-source project dedicated to providing a Java library for processing biological data.
equidock_public - EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
hPDB - PDB parser in Haskell