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HLA
CSAIL article

On the surface, the movement disorder amyotrophic lateral sclerosis (ALS), also known as Lou Gehrig’s disease, and the cognitive disorder frontotemporal lobar degeneration (FTLD), which underlies frontotemporal dementia, manifest in very different ways. In addition, they are known to primarily affect very different regions of the brain.

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Using AI to optimize for rapid neural imaging
CSAIL article

Connectomics, the ambitious field of study that seeks to map the intricate network of animal brains, is undergoing a growth spurt. Within the span of a decade, it has journeyed from its nascent stages to a discipline that is poised to (hopefully) unlock the enigmas of cognition and the physical underpinning of neuropathologies such as in Alzheimer’s disease. 

Category
Computational Biology
Language
Python
Project Lead
Tommi S. Jaakkola

GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles

MIT License
Last Updated
Category
Computational Biology
Language
Python
Project Lead
Tommi S. Jaakkola

EquiBind, is a SE(3)-equivariant geometric deep learning model performing direct-shot prediction of both i) the receptor binding location (blind docking) and ii) the ligand’s bound pose and orientation. EquiBind achieves significant speed-ups compared to traditional and recent baselines. 

MIT License
Last Updated
Category
Computational Biology
Language
Python
Project Lead
Tommi S. Jaakkola

 Diffusion Steps, Twists, and Turns for Molecular Docking

MIT License
Last Updated
Category
Computational Biology
Language
Jupyter Notebook
Project Lead
Tommi S. Jaakkola

EigenFold is a diffusion generative model for protein structure prediction (i.e., known sequence -> distribution of structures). It is based on harmonic diffusion, which incorporates bond constraints in the diffusion modeling framework and results in a cascading-resolution generative process.

MIT License
Last Updated