vsomnath

PhD student at ETH Zurich

ETH Zurich

Pinned Repositories

PoseBench
Comprehensive benchmarking of protein-ligand structure prediction methods (ICML 2024 AI4Science)
Language:Jupyter Notebook135 3 73
cccatalog-api
[PROJECT TRANSFERRED] The Creative Commons Catalog API allows programmatic access to search for CC-licensed and public domain digital media.
Language:Python100 22 277122
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Language:Python5.8k 141 1.7k1.8k
boltz
Official repository for the Boltz-1 biomolecular interaction model
Language:Python1.6k 34 146231
aligned_diffusion_bridges
Aligned Diffusion Schroedinger Bridges (UAI 2023)
Language:Python32 1 31
boltz
Official repository for the Boltz-1 biomolecular interaction model
Language:Python00
chemnet_auxilliaries
Contains the code for preparing the ChEMBL25 dataset to be used for training protocol
Language:Python4 2 24
graph_space_gps
Isotropic Gaussian Processs on Finite Spaces of Graphs (AISTATS 2023)
Language:Python6 0 00
graphretro
Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
Language:Python49 2 1014
holoprot
Multi-Scale Representation Learning on Proteins (NeurIPS 2021)
Language:Python47 1 88

vsomnath/graphretro
Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
Language:Python49 2 1014
vsomnath/holoprot
Multi-Scale Representation Learning on Proteins (NeurIPS 2021)
Language:Python47 1 88
vsomnath/aligned_diffusion_bridges
Aligned Diffusion Schroedinger Bridges (UAI 2023)
Language:Python32 1 31
vsomnath/graph_space_gps
Isotropic Gaussian Processs on Finite Spaces of Graphs (AISTATS 2023)
Language:Python6 0 00
vsomnath/chemnet_auxilliaries
Contains the code for preparing the ChEMBL25 dataset to be used for training protocol
Language:Python4 2 24
vsomnath/boltz
Official repository for the Boltz-1 biomolecular interaction model
Language:Python00