CERN CMG Tools repository. Installation instructions available on the twiki:
☆19Jul 3, 2019Updated 7 years ago
Alternatives and similar repositories for cmg-cmssw
Users that are interested in cmg-cmssw are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Prediction by Partial Matching☆16Apr 3, 2020Updated 6 years ago
- Instructions for Building Software on Various Platforms☆17May 12, 2025Updated last year
- Parallel Molecular Docking using PLANTS software☆15Dec 8, 2024Updated last year
- ☆20Jun 1, 2026Updated 2 months ago
- ☆23May 15, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ASGARD is a tool that allows via an automated MD workflow to perform MD protein or protein-ligand complex analysis and to generate the co…☆18Jul 11, 2024Updated 2 years ago
- The MDAnalysis Toolkits Registry☆19Aug 23, 2026Updated last week
- PCA and normal mode analysis of proteins☆21May 16, 2024Updated 2 years ago
- Zinc Database Downloader & Merger☆16Mar 29, 2025Updated last year
- Linear implementation of DFT calculations (CPU and GPU)☆29Mar 9, 2026Updated 5 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated last year
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆28Oct 15, 2021Updated 4 years ago
- ☆28Oct 30, 2023Updated 2 years ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆30Jun 30, 2025Updated last year
- 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.
- Program for revealing non-covalent interactions☆37Oct 21, 2022Updated 3 years ago
- ☆29Oct 7, 2024Updated last year
- protein structure prediction with precision☆29May 14, 2024Updated 2 years ago
- ☆41Jun 24, 2024Updated 2 years ago
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆42Oct 9, 2024Updated last year
- Tensorflow implementation of the paper "A Neural Algorithm of Artistic Style"☆24Sep 19, 2016Updated 9 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆49Jul 22, 2026Updated last month
- The DSSP building software☆51Aug 7, 2023Updated 3 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆65Updated this week
- 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.
- AutoDock CrankPep for peptide and disordered protein docking☆63Oct 28, 2025Updated 10 months ago
- ☆66Jul 25, 2025Updated last year
- Force Fields☆71Jan 27, 2025Updated last year
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆76Jun 30, 2026Updated last month
- Martini 3 small molecule database☆73May 13, 2026Updated 3 months 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…☆74Aug 23, 2022Updated 4 years ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆77Apr 21, 2026Updated 4 months ago
- Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data☆62Feb 23, 2022Updated 4 years ago
- A Consensus Docking Plugin for PyMOL☆87Jun 10, 2024Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆80Feb 26, 2024Updated 2 years ago
- Python data serialization/validation library☆36Nov 13, 2024Updated last year
- Calculation of interatomic interactions in molecular structures☆89Mar 5, 2026Updated 5 months ago
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆75Jun 12, 2023Updated 3 years ago
- ☆90Nov 18, 2025Updated 9 months ago
- Update your version while having a drink☆88Nov 21, 2019Updated 6 years ago
- event based and extensible messaging library with multi-network and multi-protocol support☆64Oct 27, 2018Updated 7 years ago