Cloud-based molecular simulations for everyone
☆506Aug 26, 2026Updated last month
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☆284Sep 2, 2026Updated last month
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆226Mar 4, 2026Updated 7 months ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆288Oct 30, 2023Updated 2 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆548Updated this week
- Cloud-based Drug Binding Structure Prediction☆51Aug 27, 2026Updated last month
- 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.
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆177Sep 7, 2026Updated last month
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆1,082Sep 1, 2026Updated last month
- OpenMM tutorial for the FAMD course☆196Oct 5, 2026Updated last week
- The Open Free Energy toolkit☆341Updated this week
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆174Aug 18, 2026Updated last month
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆411Sep 6, 2026Updated last month
- Interface for AutoDock, molecule parameterization☆390Sep 18, 2026Updated 3 weeks ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆48Jan 27, 2022Updated 4 years ago
- Free Parametrization for Small Molecules☆66Jun 30, 2026Updated 3 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Scoring of shape and ESP similarity with RDKit☆239Aug 19, 2025Updated last year
- Automated Adaptive Absolute alchemical Free Energy calculator☆132Oct 5, 2026Updated last week
- Making Protein folding accessible to all!☆2,954Sep 23, 2026Updated 3 weeks ago
- PDBFixer fixes problems in PDB files☆677Mar 10, 2026Updated 7 months ago
- PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods☆214Sep 22, 2023Updated 3 years ago
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆719Apr 21, 2026Updated 5 months ago