GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles

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. 

 Diffusion Steps, Twists, and Turns for Molecular Docking

DiffDock-PP is a new approach to rigid-body protein-protein docking that is based on a diffusion generative model that learns to translate and rotate unbound protein structures into their bound conformations, and a confidence model that learns to rank different poses generated by the score model and select the best one.

PFGM++ unlocks the potential of physics-inspired generative models.

NeSVoR is a package for GPU-accelerated slice-to-volume reconstruction (both rigid and deformable).

A public AI tool to turn heterogeneous clinical brain scans into high-resolution T1-weighted images for 3D morphometry.

CellProfiler is a free open-source software designed to enable biologists without training in computer vision or programming to quantitatively measure phenotypes from thousands of images automatically.

An unsupervised contrastive learning framework for learning sentence embeddings.

ContentVec is an improved self-supervised speech representation by disentangling speakers.