Pinned Repositories
AALI
Python script for checking the interactions between amino acids and ligands
ABChemoinformatics
:ab: ABC of chemoinformatics
AD_finemap
Code supporting analyses in paper on fine-mapping AD loci
af2_conformations
A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2
Algorithm
Some classic algorithmic topics
AmpUMI
Toolkit for the design and analysis of amplicon sequencing experiments utilizing unique molecular identifiers (UMIs)
autodock-vina
Protein-ligand docking code autodock vina from vina.scripps.edu
autokeras
Accessible AutoML for deep learning.
awesome-cancer-variant-databases
A community-maintained repository of cancer clinical knowledge bases and databases focused on cancer variants.
kelly1210's Repositories
kelly1210/genetics-sumstat-harmoniser
Harmonise GWAS summary statistics against a reference VCF
kelly1210/EMOGI
An explainable multi-omics graph integration method based on graph convolutional networks to predict cancer genes.
kelly1210/ReSimNet
Implementation of ReSimNet for drug response similarity prediction
kelly1210/py-mmcif
mmCIF Core Access Library
kelly1210/Expresto
Data, results, and code accompanying the manuscript: "A Flexible, Interpretable, and Accurate Approach for Imputing the Expression of Unmeasured Genes" "
kelly1210/del_qsar
kelly1210/DLEPS
A Deep Learning based Efficacy Prediction System for drug discovery
kelly1210/torchmd
End-To-End Molecular Dynamics (MD) Engine using PyTorch
kelly1210/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
kelly1210/eMAGMA-tutorial
A step by step guide on how to use eMAGMA, an approach to conducting eQTL informed gene-based tests.
kelly1210/BINDKIN
A structural benchmark to measure point mutations’ impact on kinase-ligand interactions
kelly1210/GLU
A tool for analysing continuous glucose monitoring (CGM) data in epidemiology.
kelly1210/cmapM
Connectivity Map analysis in MATLAB
kelly1210/pypdb
A Python API for the RCSB Protein Data Bank (PDB)
kelly1210/lede
Lean's OpenWrt source
kelly1210/rdkit
The official sources for the RDKit library
kelly1210/AALI
Python script for checking the interactions between amino acids and ligands
kelly1210/Diabetes-Analysis
Analyse data from MySugr App and Medtronic Carelink. Find patterns, improve therapy.
kelly1210/lincs-workshop-2020
CMap Notebooks for LINCS 2020 Workshop
kelly1210/deepmind-research
This repository contains implementations and illustrative code to accompany DeepMind publications
kelly1210/plip
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Salentin et al. (2015), https://www.doi.org/10.1093/nar/gkv315
kelly1210/rxnmapper
RXNMapper: Unsupervised attention-guided atom-mapping
kelly1210/oddt
Open Drug Discovery Toolkit
kelly1210/MCE-18
implement the descriptor MCE-18 calculation in paper: "Are We Opening the Door to a New Era of Medicinal Chemistry or Being Collapsed to a Chemical Singularity?"
kelly1210/Click
A collection of preprepared reactions for RDKit
kelly1210/DeepDrug3D
A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.
kelly1210/SSTMap
Solvation Structure and Thermodynamic Mapping
kelly1210/klifs_utils
Utility functions to work with KLIFS data
kelly1210/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
kelly1210/SBVS-vina
a framwork for virtual screen via Autodock vina.