eloyfelix

Pinned Repositories

cbl_migrator
Migrates Oracle DBs to PostgreSQL, MySQL and SQLite
Language:Python7 2 22
chembl_multitask_model
Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS
Language:Python14 3 19
ChEMBL_Structure_Pipeline
ChEMBL database structure pipelines
Language:Python197 15 3038
FPSim2
Simple package for fast molecular similarity searches
Language:Python116 21 2619
potsim2
PotSim2: Simple package to segment and compare protein potential grids
Language:Python2 1 00
blog_notebooks
blogpost notebooks
Language:Jupyter Notebook20 4 213
pistache_predictor
ChEMBL Multitask Model C++ REST microservice with ONNX Runtime and Pistache
Language:C++5 3 03
rdkit_jupyter_cling
example docker container using rdkit C++ with jupyter notebook
Language:Jupyter Notebook7 2 11
rdkitjs_onnx_multitask
Language:HTML2 2 12
RDKitMinimalLib.jl
RDKitMinimalLib wrapper for the Julia programming language
Language:Julia25 3 143

eloyfelix's Repositories

eloyfelix/RDKitMinimalLib.jl
RDKitMinimalLib wrapper for the Julia programming language
Language:Julia25 3 143
eloyfelix/blog_notebooks
blogpost notebooks
Language:Jupyter Notebook20 4 213
eloyfelix/rdkit_jupyter_cling
example docker container using rdkit C++ with jupyter notebook
Language:Jupyter Notebook7 2 11
eloyfelix/pistache_predictor
ChEMBL Multitask Model C++ REST microservice with ONNX Runtime and Pistache
Language:C++5 3 03
eloyfelix/rdkitjs_onnx_multitask
Language:HTML2 2 12
eloyfelix/3dunet
Language:Dockerfile2 0
eloyfelix/binder_conda_rdkit
Binder demo repo with environment.yml
Language:Jupyter Notebook2 0
eloyfelix/bio-aho-tagger
Simple dict based tagger
Language:Python
eloyfelix/blog
Language:CSS1 0
eloyfelix/cdk_fastapi
Language:Python2 0
eloyfelix/fpsim2_binder
FPsim2 similarity search package demo in Binder
Language:Jupyter Notebook2 0
eloyfelix/fpsim_c_warmup
Language:C2 0
eloyfelix/GenVal
Language:Python
eloyfelix/GridDataFormats
GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.
Language:Python1 0
eloyfelix/Indigo
Universal cheminformatics libraries, utilities and database search tools
Language:C++2 0
eloyfelix/iSIM
Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real number descriptors.
Language:Jupyter Notebook0 0
eloyfelix/molbloom
Molecular bloom filter tool
eloyfelix/MolecularGraph.jl
Graph-based molecule modeling toolkit for cheminformatics
Language:Julia1 0
eloyfelix/MolScribe
Robust Molecular Structure Recognition with Image-to-Graph Generation
Language:Python0 0
eloyfelix/pandas
Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more
Language:Python1 0
eloyfelix/pistache_rdkit
Language:C++2 0
eloyfelix/pyahocorasick
Python module (C extension and plain python) implementing Aho-Corasick algorithm
Language:C
eloyfelix/random_notebooks
Language:Jupyter Notebook
eloyfelix/rdkit
The official sources for the RDKit library
Language:HTML1 0
eloyfelix/rust_py_example
Language:Rust2 0
eloyfelix/stream_maip
Language:Python
eloyfelix/streamlit-playground
Language:Python1 0
eloyfelix/uspto-tools
Language:Python0 0
eloyfelix/Yggdrasil
Collection of builder repositories for BinaryBuilder.jl
Language:Julia1 0
eloyfelix/zxspectrum_basic
Beginners ZX Spectrum stuff
Language:Shell3 0