Pinned Repositories
active_learning_peptides
Prospective application of active machine learning to predict antimicrobial peptides
aoc_2022
Advent of Code 2022
cats-descriptor
Python implementation of the CATS molecular descriptor
coffee-pi
A Raspberry Pi modification to the Rancilio Silvia Espresso Machine implementing PID temperature control.
giraffe
LSTM_peptides
Long short-term memory recurrent neural networks for learning peptide and protein sequences to later design new, similar examples.
modlAMP
Python package for peptide sequence generation, peptide descriptor calculation and sequence analysis.
SMILES_generator
Generative RNN for molecule de novo design
som
Self organizing Kohonen map in Python with periodic boundary conditions
surf
Simple User-Friendly Reaction Format
alexarnimueller's Repositories
alexarnimueller/som
Self organizing Kohonen map in Python with periodic boundary conditions
alexarnimueller/LSTM_peptides
Long short-term memory recurrent neural networks for learning peptide and protein sequences to later design new, similar examples.
alexarnimueller/modlAMP
Python package for peptide sequence generation, peptide descriptor calculation and sequence analysis.
alexarnimueller/SMILES_generator
Generative RNN for molecule de novo design
alexarnimueller/surf
Simple User-Friendly Reaction Format
alexarnimueller/giraffe
alexarnimueller/cats-descriptor
Python implementation of the CATS molecular descriptor
alexarnimueller/aoc_2022
Advent of Code 2022
alexarnimueller/coffee-pi
A Raspberry Pi modification to the Rancilio Silvia Espresso Machine implementing PID temperature control.
alexarnimueller/structurebased
Repository containing scripts for docking with Vina
alexarnimueller/effgee
Functional group mapping using the RDKit
alexarnimueller/alexarnimueller
alexarnimueller/aoc2023
advent of code 2023
alexarnimueller/audio-pi
repo for creating a simple audioplayer using a raspberry pi
alexarnimueller/audio_tokens
This is a Javascript toolbox to perform online rating studies with auditory material.
alexarnimueller/erikas
erikas.ch website
alexarnimueller/erikas-secret
Website für Erikas Secret Projekt
alexarnimueller/fdd
FdD website
alexarnimueller/g-plip
Repository for G-PLIP (paper "Knowledge graph neural network for structure-free protein-ligand affinity prediction")
alexarnimueller/learning-jax
learning how to use jax, flax, optax etc.
alexarnimueller/ord-play
alexarnimueller/REINVENT
Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
alexarnimueller/retrosynthesis
Applying deep neural networks for retrosynthesis tasks
alexarnimueller/semla-flow
Efficient 3D molecular generation with flow-matching and Semla
alexarnimueller/smiles-transformer
Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.
alexarnimueller/stable-diffusion
alexarnimueller/strava
analyzing my strava activities
alexarnimueller/strava-heatmap
personal strava heatmap
alexarnimueller/transformer-cnn
Transformer CNN for QSAR/QSPR modelling
alexarnimueller/upptime
my own upptime