Ecosyste.ms: Repos
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GitHub / rdk 3 repositories
ml / ai / bio / drugs
rdk/prankweb Fork of cusbg/prankweb
FORK! Web application for protein-ligand binding sites analysis and visualization
Size: 19.5 MB - Last synced: 29 days ago - Pushed: 30 days ago - Stars: 0 - Forks: 0
rdk/p2rank
P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.
Language: Groovy - Size: 365 MB - Last synced: about 2 months ago - Pushed: about 2 months ago - Stars: 216 - Forks: 32
rdk/PointSite_Assessment
Assessment of testing data for PointSite project
Size: 1.3 GB - Last synced: 11 months ago - Pushed: over 4 years ago - Stars: 0 - Forks: 0
rdk/newsapi-python Fork of mattlisiv/newsapi-python
A Python Client for News API
Size: 66.4 KB - Last synced: 11 months ago - Pushed: almost 4 years ago - Stars: 0 - Forks: 0
rdk/pdb-tools Fork of haddocking/pdb-tools
Set of utility scripts to manipulate PDB files
Language: Python - Size: 53.7 KB - Last synced: 11 months ago - Pushed: over 6 years ago - Stars: 0 - Forks: 0
rdk/p2rank-dev-models
development models for p2rank project
Size: 89.7 MB - Last synced: 11 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0
rdk/Spearmint Fork of HIPS/Spearmint
Spearmint Bayesian optimization codebase
Language: Python - Size: 1.52 MB - Last synced: 11 months ago - Pushed: almost 7 years ago - Stars: 0 - Forks: 0
rdk/securityfields Fork of atlascommunity/securityfields
Size: 17.6 KB - Last synced: 11 months ago - Pushed: over 4 years ago - Stars: 0 - Forks: 0
rdk/weka-xgboost Fork of SigDelta/weka-xgboost
A Weka wrapper package for the XGBoost 4J
Size: 25.4 KB - Last synced: 11 months ago - Pushed: almost 6 years ago - Stars: 0 - Forks: 0
rdk/unsync Fork of alex-sherman/unsync
Unsynchronize asyncio
Size: 62.5 KB - Last synced: 11 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0
rdk/Sreality Fork of JirkaZelenka/Sreality
Sreality, Scraping, Analysis, Python
Size: 95.7 MB - Last synced: 11 months ago - Pushed: over 3 years ago - Stars: 0 - Forks: 0
rdk/zipstream Fork of kbbdy/zipstream
Simple python library for streaming zip files which are created dynamically, without using any temporary files
Size: 37.1 KB - Last synced: 11 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0
rdk/biojava Fork of biojava/biojava
FORK! :book::microscope::coffee: BioJava is an open-source project dedicated to providing a Java library for processing biological data.
Size: 47 MB - Last synced: 11 months ago - Pushed: about 1 year ago - Stars: 0 - Forks: 0
rdk/pairAdjacentViolators Fork of sanity/pairAdjacentViolators
A JVM implementation of the Pair Adjacent Violators algorithm for isotonic regression
Size: 571 KB - Last synced: 11 months ago - Pushed: about 3 years ago - Stars: 0 - Forks: 0
rdk/pymol-psico Fork of speleo3/pymol-psico
Pymol ScrIpt COllection (PSICO)
Size: 391 KB - Last synced: 11 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0
rdk/pyKVFinder Fork of LBC-LNBio/pyKVFinder
pyKVFinder: Python-C parallel KVFinder
Size: 147 MB - Last synced: 11 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0
rdk/smile-weka-package Fork of fracpete/smile-weka-package
Weka package wrapping SMILE algorithms (http://haifengl.github.io/).
Language: Java - Size: 7.41 MB - Last synced: 11 months ago - Pushed: about 4 years ago - Stars: 0 - Forks: 0
rdk/se3cnn Fork of mariogeiger/se3cnn
Euclidean Neural Networks
Size: 9.76 MB - Last synced: 11 months ago - Pushed: over 4 years ago - Stars: 0 - Forks: 0
rdk/pyGPGO Fork of josejimenezluna/pyGPGO
Bayesian optimization for Python
Size: 59.5 MB - Last synced: 11 months ago - Pushed: almost 3 years ago - Stars: 0 - Forks: 0
rdk/PythonDataScienceHandbook Fork of jakevdp/PythonDataScienceHandbook
Python Data Science Handbook: full text in Jupyter Notebooks
Size: 33.1 MB - Last synced: 11 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0
rdk/PrankWebApp Fork of jendelel/PrankWebApp
Web application for protein-ligand binding sites analysis and visualization
Language: JavaScript - Size: 12.4 MB - Last synced: 11 months ago - Pushed: over 5 years ago - Stars: 0 - Forks: 1
rdk/jira-plugins-groovy Fork of atlascommunity/jira-plugins-groovy
Jira Groovy plugin
Size: 2.91 MB - Last synced: 11 months ago - Pushed: almost 3 years ago - Stars: 0 - Forks: 0
rdk/pranklib Fork of jendelel/pranklib
Useful Biolib for PrankWebApp. Can be used externally for example to convert PDB to FASTA files.
Language: Java - Size: 1.46 MB - Last synced: 11 months ago - Pushed: about 3 years ago - Stars: 0 - Forks: 0
rdk/ProteinGCN Fork of malllabiisc/ProteinGCN
ProteinGCN: Protein model quality assessment using Graph Convolutional Networks
Size: 4.99 MB - Last synced: 11 months ago - Pushed: about 4 years ago - Stars: 0 - Forks: 0
rdk/PointSite_Inference Fork of jtpils/PointSite_Inference
PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms
Size: 16.9 MB - Last synced: 11 months ago - Pushed: over 4 years ago - Stars: 1 - Forks: 0
rdk/jira-threaded-comments Fork of atlascommunity/jira-threaded-comments
Size: 445 KB - Last synced: 11 months ago - Pushed: about 3 years ago - Stars: 0 - Forks: 0
rdk/rest-api-browser
Fork of https://bitbucket.org/atlassian/rest-api-browser
Language: Java - Size: 1.21 MB - Last synced: 11 months ago - Pushed: almost 3 years ago - Stars: 0 - Forks: 0
rdk/p2rank-funpdbe Fork of cusbg/p2rank-pdbe-kb
Language: Python - Size: 12.7 KB - Last synced: 11 months ago - Pushed: over 5 years ago - Stars: 0 - Forks: 0
rdk/MathsDL-spring18 Fork of joanbruna/MathsDL-spring18
Topics course Mathematics of Deep Learning, NYU, Spring 18
Size: 232 MB - Last synced: 11 months ago - Pushed: about 6 years ago - Stars: 0 - Forks: 0
rdk/openfold Fork of aqlaboratory/openfold
Trainable & open-source PyTorch reproduction of AlphaFold 2
Size: 4.66 MB - Last synced: 11 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0
rdk/npfl114 Fork of jendelel/npfl114
Materials for the Deep Learning -- ÚFAL course NPFL114
Language: Python - Size: 379 KB - Last synced: 11 months ago - Pushed: over 7 years ago - Stars: 0 - Forks: 0
rdk/atlassian-python-api Fork of atlassian-api/atlassian-python-api
Atlassian Python REST API wrapper
Size: 1.95 MB - Last synced: 11 months ago - Pushed: almost 2 years ago - Stars: 0 - Forks: 0
rdk/masif Fork of LPDI-EPFL/masif
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
Language: Jupyter Notebook - Size: 46.5 MB - Last synced: 11 months ago - Pushed: about 5 years ago - Stars: 0 - Forks: 0
rdk/JIRA-Shortcuts Fork of AndersAtRiada/JIRA-Shortcuts
Size: 24.4 KB - Last synced: 11 months ago - Pushed: about 3 years ago - Stars: 0 - Forks: 0
rdk/JDT Fork of yonatang/JDT
Java Delaunay Triangulation
Language: Java - Size: 1.53 MB - Last synced: 11 months ago - Pushed: about 12 years ago - Stars: 0 - Forks: 0
rdk/jira_sd Fork of sergevandijk/jira_sd
jira servicedesk 441
Size: 5.49 MB - Last synced: 11 months ago - Pushed: about 3 years ago - Stars: 0 - Forks: 0
rdk/libssrckdtree-j Fork of oschrenk/libssrckdtree-j
Inofficial mirror of libssrckdtree-j, a generic k-d tree Java library
Language: Java - Size: 281 KB - Last synced: 11 months ago - Pushed: over 13 years ago - Stars: 0 - Forks: 0
rdk/fpocket Fork of Discngine/fpocket
Fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level. fpocket is distributed as free open source software. If you are interested in integrating fpocket in an industrial setting and require official support, please contact Discngine (www.discngine.com).
Language: Tcl - Size: 88.7 MB - Last synced: 11 months ago - Pushed: almost 6 years ago - Stars: 0 - Forks: 0
rdk/InsightManager Fork of Riada-AB/InsightManager
A simplified wrapper for the Insight Java API
Size: 180 KB - Last synced: 11 months ago - Pushed: over 3 years ago - Stars: 0 - Forks: 0
rdk/fast-random-forest Fork of sdvillal/fast-random-forest
Good old Fran Supek FRF for weka. Automatically exported from code.google.com/p/fast-random-forest.
Language: Java - Size: 4.64 MB - Last synced: 11 months ago - Pushed: about 9 years ago - Stars: 0 - Forks: 0
rdk/FastRandomForest Fork of GenomeDataScience/FastRandomForest
A fast implementation of the Random Forest algorithm for the Weka environment
Language: Java - Size: 198 MB - Last synced: 11 months ago - Pushed: over 6 years ago - Stars: 1 - Forks: 0
rdk/electrostatic-potential Fork of gajdosp2/electrostatic-potential
Size: 46.2 MB - Last synced: 11 months ago - Pushed: almost 4 years ago - Stars: 0 - Forks: 0
rdk/cryptosite Fork of salilab/cryptosite
Library for prediction of cryptic binding sites
Language: Python - Size: 17.3 MB - Last synced: 11 months ago - Pushed: over 6 years ago - Stars: 0 - Forks: 0
rdk/cdp4j Fork of safrizal/cdp4j
cdp4j - Chrome DevTools Protocol for Java
Size: 349 KB - Last synced: 11 months ago - Pushed: about 7 years ago - Stars: 0 - Forks: 0
rdk/biskit Fork of graik/biskit
A Python platform for Structural Bioinformatics
Language: Python - Size: 41.5 MB - Last synced: 11 months ago - Pushed: over 6 years ago - Stars: 0 - Forks: 1
rdk/DeeplyTough Fork of BenevolentAI/DeeplyTough
Size: 17.5 MB - Last synced: 11 months ago - Pushed: over 4 years ago - Stars: 0 - Forks: 0
rdk/calc_protein_conservation Fork of jendelel/calc_protein_conservation
This script computes conservation score per aminoacid for a protein.
Language: Shell - Size: 35.2 KB - Last synced: 11 months ago - Pushed: about 4 years ago - Stars: 0 - Forks: 0
rdk/bitenet Fork of i-Molecule/bitenet
Spatiotemporal identification of druggable binding sites using deep learning
Size: 97.5 MB - Last synced: 11 months ago - Pushed: over 3 years ago - Stars: 0 - Forks: 0
rdk/biskitbase Fork of graik/biskitbase
Docker container with all biskit library requirements as well as third-party programs wrapped by biskit
Size: 8.79 KB - Last synced: 11 months ago - Pushed: over 6 years ago - Stars: 0 - Forks: 0
rdk/biozernike Fork of biocryst/biozernike
Protein structure descriptors and alignment based on 3D Zernike moments.
Size: 68.4 KB - Last synced: 11 months ago - Pushed: over 4 years ago - Stars: 0 - Forks: 0
rdk/autoweka Fork of automl/autoweka
Auto-WEKA
Language: Java - Size: 54.7 MB - Last synced: 11 months ago - Pushed: over 7 years ago - Stars: 0 - Forks: 0
rdk/BayesianOptimization Fork of bayesian-optimization/BayesianOptimization
A Python implementation of global optimization with gaussian processes.
Language: Python - Size: 20.9 MB - Last synced: 11 months ago - Pushed: about 7 years ago - Stars: 0 - Forks: 0
rdk/asyncer Fork of tiangolo/asyncer
Asyncer, async and await, focused on developer experience.
Size: 651 KB - Last synced: 11 months ago - Pushed: about 2 years ago - Stars: 0 - Forks: 0
rdk/Awesome-Bioinformatics Fork of danielecook/Awesome-Bioinformatics
A curated list of awesome Bioinformatics libraries and software.
Size: 542 KB - Last synced: 11 months ago - Pushed: over 2 years ago - Stars: 1 - Forks: 0
rdk/arxiv-sanity-lite Fork of karpathy/arxiv-sanity-lite
arxiv-sanity lite: tag arxiv papers of interest get recommendations of similar papers in a nice UI using SVMs over tfidf feature vectors based on paper abstracts.
Size: 991 KB - Last synced: 11 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0
rdk/arxiv-sanity-preserver Fork of karpathy/arxiv-sanity-preserver
Web interface for browsing, search and filtering recent arxiv submissions
Language: Python - Size: 951 KB - Last synced: 11 months ago - Pushed: about 7 years ago - Stars: 0 - Forks: 0
rdk/AHoJ-project Fork of cusbg/AHoJ-project
:wave: Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa.
Size: 5.7 MB - Last synced: 11 months ago - Pushed: over 1 year ago - Stars: 1 - Forks: 0
rdk/AF2Rank Fork of jproney/AF2Rank
Size: 103 KB - Last synced: 11 months ago - Pushed: about 2 years ago - Stars: 0 - Forks: 0
rdk/3D-geometric-deep-learning-in-drugs Fork of 3146830058/Geometry-Deep-Learning-for-Drug-Discovery
3D-geometric-deep-learning-in-drugs
Size: 95.7 KB - Last synced: 11 months ago - Pushed: about 1 year ago - Stars: 2 - Forks: 0
rdk/p2rank-datasets
Datasets for P2Rank project. https://github.com/rdk/p2rank
Size: 1.7 GB - Last synced: 10 months ago - Pushed: 10 months ago - Stars: 14 - Forks: 1
rdk/MolArt Fork of cusbg/MolArt
MOLeculAR structure annoTator
Size: 74.9 MB - Last synced: 11 months ago - Pushed: about 2 years ago - Stars: 0 - Forks: 0
rdk/p2rank-ions-data
Size: 2.13 GB - Last synced: 11 months ago - Pushed: about 1 year ago - Stars: 0 - Forks: 0
rdk/FasterForest
Fast Random Forests implementation for Weka. Streamlined version of Fan Supek's FastRandomForest.
Language: Java - Size: 981 KB - Last synced: about 2 months ago - Pushed: about 2 months ago - Stars: 0 - Forks: 1
rdk/spherical-cnn Fork of daniilidis-group/spherical-cnn
Demo code for the paper "Learning SO(3) Equivariant Representations with Spherical CNNs"
Size: 5.32 MB - Last synced: 11 months ago - Pushed: about 5 years ago - Stars: 0 - Forks: 0
rdk/Machine-learning-for-proteins Fork of yangkky/Machine-learning-for-proteins
Listing of papers about machine learning for proteins.
Size: 98.6 KB - Last synced: 11 months ago - Pushed: over 4 years ago - Stars: 0 - Forks: 0
rdk/funpdbe-validator
forked from https://gitlabci.ebi.ac.uk/pdbe-kb/funpdbe/funpdbe-validator.git
Language: Python - Size: 20.5 KB - Last synced: 11 months ago - Pushed: about 5 years ago - Stars: 0 - Forks: 0
rdk/scde Fork of hms-dbmi/scde
R package for analyzing single-cell RNA-seq data
Language: R - Size: 13.9 MB - Last synced: 11 months ago - Pushed: over 7 years ago - Stars: 0 - Forks: 0