Cloud-based molecular simulations for everyone
☆485Jan 20, 2026Updated 3 months ago
Alternatives and similar repositories for making-it-rain
Users that are interested in making-it-rain are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Google Colab Tutorials for IBM3202☆278Nov 6, 2024Updated last year
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆222Mar 4, 2026Updated 2 months ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆277Oct 30, 2023Updated 2 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆497Apr 27, 2026Updated last week
- Cloud-based Drug Binding Structure Prediction☆46Feb 9, 2026Updated 2 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆171Updated this week
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆997Updated this week
- OpenMM tutorial for the MSBS course☆189Mar 19, 2026Updated last month
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆161Apr 9, 2026Updated 3 weeks ago
- Interface for AutoDock, molecule parameterization☆361Apr 24, 2026Updated last week
- Making Protein folding accessible to all!☆2,746Updated this week
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆391Sep 16, 2025Updated 7 months ago
- Scoring of shape and ESP similarity with RDKit☆235Aug 19, 2025Updated 8 months ago
- PDBFixer fixes problems in PDB files☆643Mar 10, 2026Updated last month
- 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.
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆464Mar 9, 2026Updated last month
- PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods☆210Sep 22, 2023Updated 2 years ago
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆700Apr 21, 2026Updated last week
- A deep learning framework for molecular docking☆905Feb 26, 2026Updated 2 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆46Jan 27, 2022Updated 4 years ago
- ☆126Feb 4, 2026Updated 3 months ago
- Practical Cheminformatics Tutorials☆1,236Mar 31, 2026Updated last month
- Automated Adaptive Absolute alchemical Free Energy calculator☆116Feb 9, 2026Updated 2 months ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆98Jul 16, 2025Updated 9 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Google Colab notebooks for running molecular dynamics simulations with GROMACS☆45Oct 6, 2023Updated 2 years ago
- Visual Interactive Analysis of Molecular Dynamics☆321Updated this week
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆149Feb 12, 2025Updated last year
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆306Dec 8, 2025Updated 4 months ago
- The Open Free Energy toolkit☆282Updated this week
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆361Apr 27, 2026Updated last week
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆676Oct 30, 2025Updated 6 months ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆416Apr 3, 2026Updated last month
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design☆686Feb 27, 2026Updated 2 months ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆319Jan 7, 2026Updated 3 months ago
- Simulation-Enabled Estimation of Kinetic Rates - Version 2☆35Dec 10, 2025Updated 4 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆62Apr 6, 2026Updated 3 weeks ago
- MoleculeKit: Your favorite molecule manipulation kit☆236Updated this week
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆202Jul 6, 2023Updated 2 years ago
- A Python Package for Protein Dynamics Analysis☆544Mar 9, 2026Updated last month
- the simple alchemistry library☆237Jan 23, 2026Updated 3 months ago