Damian Nowak's repositories
seq_to_seq_and_dock_AMU
Master thesis materials
awesome-python-chemistry
A curated list of Python packages related to chemistry
BIMODAL
Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
caffeine_new_structures
The repository for the creation of new chemical structures for caffeines.
code
Compilation of R and Python programming codes
Colchicine_ML
Machine learning for colchicine derivatives, anticancer activity
DALEX
moDel Agnostic Language for Exploration and eXplanation
Deep-Drug-Coder
A tensorflow.keras generative neural network for de novo drug design, published in Nature Machine Intelligence while working at AstraZeneca.
DeepAffinity
Protein-compound affinity prediction through unified RNN-CNN
Hello-world
Something new
Indole_new_structures
The repository for the creation of new chemical structures for indoles.
Molecular-descriptors
A piece of useful details.
Molecular_descriptors_app
This repository contains molecular descriptors application
Molecular_docking_Vina_CPU
Windows usage of AutoDock Vina CPU
molvecgen
Molecular vectorization and batch generation
Password_Generator
This repo contains password generator application
pdbfixer
PDBFixer fixes problems in PDB files
PDF_merger
This app allows to merge *.pdf files.
pyscreener
pythonic interface to virtual screening software
stoned-selfies
This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES
syba
Synthetic Bayesian Classification
Toon-Me
A Deep Learning project to Toon Portrait Images
UGM_2022
Materials from the 2022 UGM