awesome-small-molecule-mlA curated list of resources for machine learning for small-molecule drug discovery
Stars: ✭ 54 (+145.45%)
protwisProtwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G protein-coupled receptors (GPCRs).
Stars: ✭ 20 (-9.09%)
ScopyAn integrated negative design python library for desirable HTS/VS database design
Stars: ✭ 28 (+27.27%)
Sourceafis JavaFingerprint recognition engine for Java that takes a pair of human fingerprint images and returns their similarity score. Supports efficient 1:N search.
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CdkThe Chemistry Development Kit
Stars: ✭ 283 (+1186.36%)
TdcTherapeutics Data Commons: Machine Learning Datasets and Tasks for Therapeutics
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GLaDOSWeb Interface for ChEMBL @ EMBL-EBI
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sourceafis-netFingerprint recognition engine for .NET that takes a pair of human fingerprint images and returns their similarity score. Supports efficient 1:N search.
Stars: ✭ 43 (+95.45%)
Dgl LifesciPython package for graph neural networks in chemistry and biology
Stars: ✭ 194 (+781.82%)
bidd-molmapMolMap: An Efficient Convolutional Neural Network Based Molecular Deep Learning Tool
Stars: ✭ 102 (+363.64%)
ProtrComprehensive toolkit for generating various numerical features of protein sequences
Stars: ✭ 30 (+36.36%)
ScipipeRobust, flexible and resource-efficient pipelines using Go and the commandline
Stars: ✭ 826 (+3654.55%)
e3fp3D molecular fingerprints
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AMIDDIntroduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)
Stars: ✭ 13 (-40.91%)
GenomicDataCommonsProvide R access to the NCI Genomic Data Commons portal.
Stars: ✭ 64 (+190.91%)
CANDOComputational Analysis of Novel Drug Opportunities
Stars: ✭ 27 (+22.73%)
Jupyter DockJupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
Stars: ✭ 179 (+713.64%)
siriusSIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)
Stars: ✭ 32 (+45.45%)
wdlRunRElastic, reproducible, and reusable genomic data science tools from R backed by cloud resources
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flexidotHighly customizable, ambiguity-aware dotplots for visual sequence analyses
Stars: ✭ 73 (+231.82%)
motifmatchrFast motif matching in R
Stars: ✭ 25 (+13.64%)
plasmidtronAssembling the cause of phenotypes and genotypes from NGS data
Stars: ✭ 27 (+22.73%)
StackedDAEStacked Denoising AutoEncoder based on TensorFlow
Stars: ✭ 23 (+4.55%)
Anviz.NET library to access and control Anviz devices.
Stars: ✭ 21 (-4.55%)
SumStatsRehabGWAS summary statistics files QC tool
Stars: ✭ 19 (-13.64%)
BioKEENA computational library for learning and evaluating biological knowledge graph embeddings
Stars: ✭ 41 (+86.36%)
calourexploratory and interactive microbiome analyses based on heatmaps
Stars: ✭ 22 (+0%)
ccsCCS: Generate Highly Accurate Single-Molecule Consensus Reads (HiFi Reads)
Stars: ✭ 79 (+259.09%)
fpga puf🔑 Technology-agnostic Physical Unclonable Function (PUF) hardware module for any FPGA.
Stars: ✭ 44 (+100%)
pathway-mapperPathwayMapper: An interactive and collaborative graphical curation tool for cancer pathways
Stars: ✭ 47 (+113.64%)
bio toolsUseful bioinformatic scripts
Stars: ✭ 35 (+59.09%)
picardmetrics🚦 Run Picard on BAM files and collate 90 metrics into one file.
Stars: ✭ 38 (+72.73%)
ngstoolsMy own tools code for NGS data analysis (Next Generation Sequencing)
Stars: ✭ 28 (+27.27%)
awesome-geneticsA curated list of awesome bioinformatics software.
Stars: ✭ 60 (+172.73%)
referenceseekerRapid determination of appropriate reference genomes.
Stars: ✭ 65 (+195.45%)
TypeTEGenotyping of segregating mobile elements insertions
Stars: ✭ 15 (-31.82%)
OpenGene.jl(No maintenance) OpenGene, core libraries for NGS data analysis and bioinformatics in Julia
Stars: ✭ 60 (+172.73%)
block-alignerSIMD-accelerated library for computing global and X-drop affine gap penalty sequence-to-sequence or sequence-to-profile alignments using an adaptive block-based algorithm.
Stars: ✭ 58 (+163.64%)
dna-sculpture3D printed sculpture of a DNA molecule, showing my own genome
Stars: ✭ 22 (+0%)
virnetVirNet: A deep attention model for viral reads identification
Stars: ✭ 26 (+18.18%)
echolocatoRAutomated statistical and functional fine-mapping pipeline with extensive API access to datasets.
Stars: ✭ 13 (-40.91%)
matamMapping-Assisted Targeted-Assembly for Metagenomics
Stars: ✭ 18 (-18.18%)
orfipyFast and flexible ORF finder
Stars: ✭ 27 (+22.73%)
bystroBystro genetic analysis (annotation, filtering, statistics)
Stars: ✭ 31 (+40.91%)
netSmoothnetSmooth: A Network smoothing based method for Single Cell RNA-seq imputation
Stars: ✭ 23 (+4.55%)
CATTAn ultra-sensitive and precise tool for characterizing T cell CDR3 sequences in TCR-seq and RNA-seq data.
Stars: ✭ 17 (-22.73%)
biskitA Python platform for Structural Bioinformatics
Stars: ✭ 47 (+113.64%)
whales descriptorspython code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors
Stars: ✭ 24 (+9.09%)
crazydocRead DNA sequences from colourful Microsoft Word documents
Stars: ✭ 18 (-18.18%)
SVCollectorMethod to optimally select samples for validation and resequencing
Stars: ✭ 20 (-9.09%)
RforProteomicsUsing R and Bioconductor packages for the analysis and comprehension of proteomics data.
Stars: ✭ 52 (+136.36%)
epivizEpiViz is a scientific information visualization tool for genetic and epigenetic data, used to aid in the exploration and understanding of correlations between various genome features.
Stars: ✭ 65 (+195.45%)
nmap vscannmap service and application version detection (without nmap installation)
Stars: ✭ 105 (+377.27%)
NMFADMMA sparsity aware implementation of "Alternating Direction Method of Multipliers for Non-Negative Matrix Factorization with the Beta-Divergence" (ICASSP 2014).
Stars: ✭ 39 (+77.27%)