☆13Jul 15, 2024Updated last year
Alternatives and similar repositories for molssi-cheminformatics
Users that are interested in molssi-cheminformatics are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆80Dec 30, 2024Updated last year
- Python API for the ILThermo 2.0 database with SMILES support☆12May 2, 2025Updated last year
- This repository contains notebooks for the workshop Python for Cheminformatics-Driven Molecular Docking held on May 1, 2025 in collaborat…☆92Jun 3, 2025Updated 11 months ago
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- PyChem-Pro: a molecular viewer☆100Updated this week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Hands-on workshop showing good software development practices to create a Python package.☆43Mar 18, 2026Updated last month
- Quantum Computing and Machine Learning for Drug Design and Proteins Engineering☆14Mar 12, 2024Updated 2 years ago
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- Prediction of the activity of molecules/ligands that have been tested to bind or not bind to Beta-Lactamases using machine learning cl…☆10Mar 5, 2026Updated 2 months ago
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆28Aug 10, 2025Updated 8 months ago
- Cloud-based molecular docking for everyone☆12Jul 1, 2024Updated last year
- Cloud-based Drug Binding Structure Prediction☆46Feb 9, 2026Updated 3 months ago
- Some tutorials on how to use AMBER simulation package. Especially for Amber22+AmberTools23.☆22Sep 8, 2025Updated 8 months ago
- CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning☆21Aug 13, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the Universit…☆100Jan 29, 2026Updated 3 months ago
- A introductory BioPython tutorial for Bioinformatics students☆18Oct 1, 2020Updated 5 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆27Mar 24, 2025Updated last year
- ☆29Oct 29, 2023Updated 2 years ago
- ☆12Oct 25, 2023Updated 2 years ago
- Free Parametrization for Small Molecules☆53Feb 18, 2026Updated 2 months ago
- An unofficial re-implementation of AntiBERTy, an antibody-specific protein language model, in PyTorch.☆26Mar 21, 2024Updated 2 years ago
- Python website crawler for alexa.com☆10Nov 22, 2021Updated 4 years ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆10Nov 20, 2025Updated 5 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A tutorial on how to create bioinformatics pipelines as bash scripts, Makefiles and using tools like Nextflow.☆17Nov 14, 2022Updated 3 years ago
- ☆18Nov 16, 2020Updated 5 years ago
- MiniMol is a 10M-parameters molecular fingerprinting model pre-trained on >3300 biological and quantum tasks☆47May 29, 2025Updated 11 months ago
- Everything necessary for catalyst owners to deploy their own node☆12Apr 30, 2026Updated last week
- Repository of codes and data for Estrogen Receptor Alpha QSAR modeling☆18Mar 27, 2018Updated 8 years ago
- ☆11May 22, 2024Updated last year
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Apr 30, 2026Updated last week
- ☆13Mar 28, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆13Dec 5, 2024Updated last year
- Structural Bioinformatics Training Workshop & Hackathon 2017☆19Jan 23, 2018Updated 8 years ago
- ☆21Jan 23, 2021Updated 5 years ago
- Unified Free Energy Dynamics (UFED) simulations with OpenMM☆35Aug 20, 2025Updated 8 months ago
- Script to check required packages for Schrödinger suite on Linux machine☆13Mar 23, 2026Updated last month
- ☆35Jun 22, 2024Updated last year
- ☆10Jul 30, 2024Updated last year