#
Starred repositories
Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
an autoregressive flow model incorporated with chemical acknowledge for generating drug-like molecules inside protein pockets
An extremely fast Python package and project manager, written in Rust.
Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation
a free and open source speech synthesizer for Russian and other languages
A curated list of awesome Hatch plugins and resources
Sulstice / dimorphite_dl
Forked from UnixJunkie/dimorphite_dlProtonate Your SMILES! Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/
Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties
lwreg is a lightweight registration system for chemical registration and data storage.
A Euclidean diffusion model for structure-based drug design.
Structural similarity benchmark
Небольшая серия уроков по работе с библиотекой aiogram
A Python package for data-mining the QM9 dataset
RDKit Tools for the IPython Notebook
A curated list of resources for machine learning for small-molecule drug discovery
An example of how to deploy Apache Airflow on Amazon ECS Fargate
Домашка к курсу «Асинхронная архитектура» пятый поток
Full stack, modern web application generator. Using FastAPI, MongoDB as database, Docker, automatic HTTPS and more.
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
A starter project using Python, FastAPI and uv.