aurora-bio
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kindel
kindel PublicForked from insitro/kindel
KinDEL is a large DNA-encoded library dataset containing two kinase targets (DDR1 and MAPK14) for benchmarking machine learning models.
Python
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NeuralPLexer
NeuralPLexer PublicForked from zrqiao/NeuralPLexer
NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
Jupyter Notebook
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chroma
chroma PublicForked from generatebio/chroma
A generative model for programmable protein design
Python
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MolGen
MolGen PublicForked from zjunlp/MolGen
[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
Python
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RFdiffusion
RFdiffusion PublicForked from RosettaCommons/RFdiffusion
Code for running RFdiffusion
Python
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Repositories
- boltz Public Forked from jwohlwend/boltz
Official repository for the Boltz biomolecular interaction models
aurora-bio/boltz’s past year of commit activity - deepmd-kit Public Forked from deepmodeling/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
aurora-bio/deepmd-kit’s past year of commit activity - chemprop Public Forked from chemprop/chemprop
Message Passing Neural Networks for Molecule Property Prediction
aurora-bio/chemprop’s past year of commit activity - Uni-Dock2 Public Forked from dptech-corp/Uni-Dock2
GPU-accelerated molecular docking software: Uni-Dock 2
aurora-bio/Uni-Dock2’s past year of commit activity - eager Public Forked from nf-core/eager
A fully reproducible and state-of-the-art ancient DNA analysis pipeline
aurora-bio/eager’s past year of commit activity - pytorch_geometric Public Forked from pyg-team/pytorch_geometric
Graph Neural Network Library for PyTorch
aurora-bio/pytorch_geometric’s past year of commit activity
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