Install Conda and friends on Google Colab, easily
☆363Jun 24, 2025Updated 11 months ago
Alternatives and similar repositories for condacolab
Users that are interested in condacolab are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A command line application to launch molecular dynamics simulations with OpenMM☆40Apr 7, 2022Updated 4 years ago
- Repository for Chemical Perception Sampling Tools☆23Aug 13, 2024Updated last year
- Experiments with expanded ensembles to explore chemical space☆201Oct 28, 2025Updated 7 months ago
- Standalone charge assignment from Espaloma framework.☆47Oct 10, 2025Updated 8 months ago
- psi4+RDKit☆108May 13, 2025Updated last year
- 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.
- Generate canonical molecule identifiers for quantum chemistry database☆23May 17, 2021Updated 5 years ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Aug 3, 2024Updated last year
- Package for consistent reporting of relative free energy results☆42Jun 12, 2026Updated last week
- Collection of scripts / notebooks to reliably select datasets☆31Jan 28, 2024Updated 2 years ago
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated 2 years ago
- Structure-informed machine learning for kinase modeling☆61Updated this week
- Install and run applications packaged with conda in isolated environments☆123Nov 20, 2025Updated 6 months ago
- Parse a SDF file and convert it to an array of objects☆12May 25, 2026Updated 3 weeks ago
- Contains relevant project files to publicly available tautomer database "Tautobase"☆23Nov 8, 2022Updated 3 years 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.
- [DEPRECATED] Use setup-micromamba instead☆74May 22, 2023Updated 3 years ago
- MoleculeKit: Your favorite molecule manipulation kit☆237Updated this week
- The Open Free Energy toolkit☆301Jun 12, 2026Updated last week
- Dask-GeoPandas tutorial☆22Jun 24, 2022Updated 3 years ago
- A Python library for structural cheminformatics☆109Nov 18, 2025Updated 7 months ago
- ☆22Mar 2, 2026Updated 3 months ago
- Model Evaluation Toolkit☆28Apr 17, 2019Updated 7 years ago
- In-house tools for setting up arbitrary solute-solvent mixtures for simulation in GROMACS, Amber, OpenMM or other codes☆34Oct 15, 2020Updated 5 years ago
- Simple installer for conda (and conda-likes)☆17Feb 1, 2026Updated 4 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Make better chemistry documentation!☆15Nov 20, 2024Updated last year
- ☆11Jan 23, 2019Updated 7 years ago
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆67Sep 5, 2022Updated 3 years ago
- Grayskull - Recipe generator for Conda☆377Jun 8, 2026Updated last week
- Make valid molecular graphs!☆23Mar 8, 2024Updated 2 years ago
- RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patch…☆73Aug 23, 2022Updated 3 years ago
- Benchmark set for relative free energy calculations.☆121May 22, 2024Updated 2 years ago
- JupyterLab extension for Dask☆328Jun 2, 2025Updated last year
- Set up your GitHub Actions workflow with conda via miniconda☆438Updated this week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- polygon (ring network) discovery from XYZ files☆11Jun 21, 2016Updated 9 years ago
- A GitHub action for setting up the Mamba package manager☆20Jun 26, 2023Updated 2 years ago
- OpenMM tutorial for the MSBS course☆191Mar 19, 2026Updated 3 months ago
- Template-directed automatic generation of transition state structures.☆11Nov 22, 2016Updated 9 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆504Updated this week
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆75Apr 21, 2026Updated last month
- Lightweight lockfile for conda environments☆556Updated this week