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

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.

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

An unsupervised contrastive learning framework for learning sentence embeddings.

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

Multipool is a high-resolution genetic mapping for pooled sequencing.