apahl

Med. chemist turned Chemical data scientist. Linux enthusiast, programming in Python & Rust. Living between Hannover (home) and Hamburg (work).

Fraunhofer ITMP (Hamburg)Germany, Hamburg (work) / Hannover (home)

Pinned Repositories

cluster_mst
Compound clustering as MST
Language:Python0 1 00
csvtable
Nim tools for dealing with CSV files with an API similar to Python's CSVDictReader and -Writer
Language:Nim5 2 10
jupy_tools
misc tools for working in a Jupyter notebook in a cheminformatics context
Language:Python2 3 00
mol_frame
Chemical Structure Handling for Pandas DataFrames
Language:Jupyter Notebook33 4 311
nim_magic
Nim cell magic for JupyterLab or Juypter Python Notebooks.
Language:Jupyter Notebook52 2 01
plate-inspector
quickly generate overviews of Cell Painting image plates
Language:Rust0 1 01
rdkit_cxx
RDKit bindings for Rust
Language:Rust1 1 00
rdkit_ipynb_tools
RDKit Tools for the IPython Notebook
Language:Jupyter Notebook46 7 213
sdf_viewer
interactive SDF Viewer presented originally at the RDKit UGM 2014
Language:Python21 4 06

apahl's Repositories

apahl/nim_magic
Nim cell magic for JupyterLab or Juypter Python Notebooks.
Language:Jupyter Notebook52 2 01
apahl/rdkit_ipynb_tools
RDKit Tools for the IPython Notebook
Language:Jupyter Notebook46 7 213
apahl/mol_frame
Chemical Structure Handling for Pandas DataFrames
Language:Jupyter Notebook33 4 311
apahl/csvtable
Nim tools for dealing with CSV files with an API similar to Python's CSVDictReader and -Writer
Language:Nim5 2 10
apahl/rdkit_nim
Nim bindings for the C++ cheminformatics toolkit RDKit.
Language:Nim5 3 20
apahl/rdkit_rust
Language:Rust4 2 1
apahl/vstools
Utilities for analyzing and reporting results from Smina virtual screens
Language:HTML4 3 02
apahl/rdkit_misc
A collection of miscellaneous personal tools for the RDKit
Language:Python3 3 10
apahl/corosim
Simple infection simulator, written in Swift using Raylib
Language:Jupyter Notebook2 1 0
apahl/dodge
A small game written in Swift using Raylib
Language:Swift2 1 01
apahl/jupy_tools
misc tools for working in a Jupyter notebook in a cheminformatics context
Language:Python2 3 00
apahl/raylib-swift
Helpers for using the Raylib C library in Swift
Language:C2 1 02
apahl/rdkit_cxx
RDKit bindings for Rust
Language:Rust1 1 00
apahl/TensorMol
Tensorflow + Molecules = TensorMol
Language:Python1 2 0
apahl/cluster_mst
Compound clustering as MST
Language:Python0 1 00
apahl/plate-inspector
quickly generate overviews of Cell Painting image plates
Language:Rust0 1 01
apahl/apahl
Personal profile
1 0
apahl/cell-painting
Language:Python0 0
apahl/cellpainting2
Analyzing Cell Painting results with Dask and Pandas - not yet ready for use by others
Language:Python1 1
apahl/collect
A few generic collection types for the Go programming language.
Language:Go1 0
apahl/genny
Elegant generics for Go
Language:Go1 0
apahl/hn
A Hacker News downloader for the terminal.
Language:Rust1 0
apahl/img_viewer
A plate image viewer for visually analysing Cell Painting results
Language:Go2 0
apahl/MolPipeline
A Python package for processing molecules with RDKit in scikit-learn
Language:Python0 0
apahl/nim_labtools
A set of lab tool programs written in Nim
Language:Nim2 0
apahl/pertable
Periodic table in rust.
Language:Rust0 0
apahl/profiling-recipe
Image-based Profiling Recipe
Language:Python1 0
apahl/rdkit-rs
RDKit Made Idiomatic for Rust
apahl/smiles_viewer
A Smiles structure viewer, written in Nim
Language:Nim1 0
apahl/utls
Small Go utilities and helpers imported by other programs
Language:Go2 0