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SOFTWARE AND TOOLS

Comparing MP2, MoSiC-CGenFF-NTOID plots for molecular simulation workflow with GROMACS.

General-Purpose Peptoid High-Throughput Simulation Package​

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https://github.com/UWPRG/mftoid-rev-residues

Scientific research, data analysis, results, and iterative improvement cycle.

Physics-Based Reward Driven Workflow (RDW)

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https://github.com/KBForgeX/RDW

Diagram illustrating VAE process, transforming pixelated image from left to right.

Dual VAE for building structure-property relationships​

https://github.com/ziatdinovmax/dualVAE

Molecular structure forming a filament, with corresponding scattering intensity curve MC_DFM.

Monte Carlo Distribution Function Method â€‹

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https://github.com/pozzo-research-group/MC-DFM

Flowchart showing obtaining shape-based groups, graph diffusion, and template updates.

Autophasemap – Metric geometry based tool to autonomously create phasemaps

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​https://github.com/pozzo-research-group/papers/tree/main/autophasemap

Diagram illustrating VAE process, transforming pixelated image from left to right.

Variational autoencoders for imaging and spectral analysis

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https://github.com/saimani5/VAE-tutorials

Flowchart of tool to perform timed interventions using a liquid handling OT2 robot

Otto – Tool to perform timed interventions using a liquid handling OT2 robot

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https://github.com/pozzo-research-group/otto

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