Ming Hao's repositories
3DInfomax
Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
cornet
Elastic Net for Dichotomised Outcomes
dccpp
Fast computation of Distance Correlation and Distance Covariance in R
druggpt
DrugGPT: A GPT-based Strategy for Designing Potential Ligands Targeting Specific Proteins
DSAM
The package provides six different algorithms that can be used to split available data into training, test and validation subsets with similar distribution for model development
fastLogisticRegressionWrap
The public repository for the R package fastLogisticRegressionWrap on CRAN
flashlight-1
A C++ standalone library for machine learning
kdenlive
Free and open source video editor, based on MLT Framework and KDE Frameworks 5
localcolabfold
ColabFold on your local PC
modeldatatoo
More Data Sets Useful for Modeling Examples
ODRF
Oblique Decision Random Forest for Classification and Regression
openduck
Fork of open-source DUck (Dynamic Undocking) used by mihaelasmilova
pdb2pqr
PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
probably
Tools for post-processing class probability estimates
rad-lab
RAD Lab enables users to deploy infrastructure on Google Cloud Platform (GCP) to support specific use cases. Infrastructure is created and managed through Terraform in conjunction with support scripts written in Python. The templates, code, and documentation for each use case are bundled into modules.
rDock
rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies.
sccore
Core utilities for single-cell RNA-seq
Structural-Bioinformatics
This is a repository, originally inspired by https://github.com/pb3lab/ibm3202, for the practicals of the MBB/QB course of Structural Bioinformatics at the University of Milano
surface_analyses
Scores for Hydrophobicity and Charges based on SASAs
tglkmeans
Efficient Implementation of Kmeans++ Algorithm
The-Art-of-Linear-Algebra
Graphic notes on Gilbert Strang's "Linear Algebra for Everyone"
tok
Tokenizers from HuggingFace
ucminf
ucminf: General-Purpose Unconstrained Non-Linear Optimization