ANTIPASTI (ANTIbody Predictor of Affinity from STructural Information) is a Deep Learning model that predicts the binding affinity of antibodies from their three-dimensional structure.
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Nov 8, 2024 - Jupyter Notebook
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normal-mode-analysis
Here are 14 public repositories matching this topic...
Elastic Network Contact Model (coarse-grained Normal Mode Analysis software)
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Jul 29, 2017 - C
Predict allosteric pockets on proteins
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Mar 28, 2022 - Python
Integrated Bioinformatics Project
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Dec 17, 2024 - Python
This repository contains different scripts used for the normal mode analysis of biomolecules with known crystal structures.
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Jun 26, 2025 - Jupyter Notebook
Normal mode analysis from meshes
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Jan 28, 2020 - Jupyter Notebook
Setup, run and analyse Adaptive MDeNM simulations on CHARMM
molecular-dynamics molecular-dynamics-simulation charmm enhanced-sampling enm molecular-modeling normal-modes normal-mode-analysis elastic-network-models
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Aug 4, 2026 - Rich Text Format
A tool to perform quick normal mode analysis on a PDB file using Tirion's model.
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Oct 11, 2022 - C
Physics-aware deep learning for protein stability & enzyme kinetics — tri-modal fusion of ProtT5 sequence embeddings, vibrational density of states (VDOS) from normal mode analysis, and ChemBERTa chemical features.
bioinformatics deep-learning protein-structure molecular-dynamics pytorch normal-mode-analysis graph-neural-networks enzyme-kinetics
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Jul 2, 2026 - Python
Elastic Network Model computation featuring GPU acceleration and parallel processing
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Mar 17, 2026 - Python
Potential energy distribution (PED), vibrational-mode assignment and VPT2/IR analysis from ORCA Hessian outputs.
python dft python-script python3 computational-chemistry quantum-chemistry avogadro normal-modes vibrational-analysis normal-mode-analysis vibrational-spectroscopy infrared-spectroscopy dft-calculations normal-mode-sampling avogadro2 vpt2 gvpt2 potential-energy-distribution
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Aug 31, 2026 - Python
ORCA Vibrational Mode Analysis & IR Intensity Re-mapping Tool
normal-mode-analysis vibrational-spectroscopy orca-quantum-chemistry ir-spectrum normal-mode-analysis-vmard
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Aug 17, 2025 - Jupyter Notebook
A minimal Rust library for Anisotropic Network Model (ANM) normal-mode analysis: give it atoms, get back the vibrational modes of an elastic network.
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Jun 29, 2026 - Rust
Setup and run aMDeNM simulations with Python
molecular-dynamics molecular-dynamics-simulation charmm namd enhanced-sampling enm molecular-modeling normal-modes normal-mode-analysis elastic-network-models
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Sep 12, 2026 - Python
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