kalininalab's repositories
alphafold_non_docker
AlphaFold2 non-docker setup
openfold_non_docker
OpenFold non-docker setup
data-versioning-examples
Examples of data stored under version control systems & list of various resources for data stewardship
CompressBinaryTable
Compresses binary tables
useful_scripts
A repository to share our useful scripts in, between our group and others
datasail_tape
Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology.
EpiPAMPAS
Rapid detection of intra-protein epistasis via parsimonious ancestral state reconstruction and counting parallel mutations
GraphDTA_PDBbind
GraphDTA: Predicting drug-target binding affinity with graph neural networks on the PDBbind dataset
ProtPreTrain
Protein structure pretraining
QCQP
A CVXPY extension for handling nonconvex QCQP via Suggest-and-Improve framework