Pinned Repositories
alphaflow
AlphaFold Meets Flow Matching for Generating Protein Ensembles
AutoDock-Vina
AutoDock Vina
COGS108_Repo
DeepDTA
A fork for the CNN based DeepDTA method for binding affinity prediction
DeepDTA-Pytorch
Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)
DiffDock
Diffdock playground - for learning diffusion model
DLPacker
DLPacker
DynamicBind
repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
e3_diffusion_for_molecules
to understand more about diffusion model
GeoLDM
Geometric Latent Diffusion Models for 3D Molecule Generation
KSUN63's Repositories
KSUN63/DeepDTA-Pytorch
Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)
KSUN63/alphaflow
AlphaFold Meets Flow Matching for Generating Protein Ensembles
KSUN63/AutoDock-Vina
AutoDock Vina
KSUN63/COGS108_Repo
KSUN63/DeepDTA
A fork for the CNN based DeepDTA method for binding affinity prediction
KSUN63/DiffDock
Diffdock playground - for learning diffusion model
KSUN63/DLPacker
DLPacker
KSUN63/DynamicBind
repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
KSUN63/e3_diffusion_for_molecules
to understand more about diffusion model
KSUN63/GeoLDM
Geometric Latent Diffusion Models for 3D Molecule Generation
KSUN63/gvp-pytorch
Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
KSUN63/MPNN-NewtonNet
Forked from Lukas' Repo for Diffusion Dev
KSUN63/MyFirstPullRequest
To be used for the assignments in Cogs 108
KSUN63/NeuralPLexer
NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
KSUN63/PIPPack
Implementation of Protein Invariant Point Packer (PIPPack)
KSUN63/score_sde_pytorch
PyTorch implementation for Score-Based Generative Modeling through Stochastic Differential Equations (ICLR 2021, Oral)