☆21Jun 2, 2026Updated 2 months ago
Alternatives and similar repositories for plipify
Users that are interested in plipify are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Wrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]☆11Jul 10, 2026Updated last month
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- [ICML 2026 GenBio Workshop] Official Implementation for "Harmonic Torsional Diffusion for Protein-Ligand Flexible Docking"☆15Jun 30, 2026Updated last month
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Oct 21, 2020Updated 5 years ago
- Statistical Analysis of Docking Results and Scoring functions☆21May 14, 2026Updated 2 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.
- ☆27May 15, 2019Updated 7 years ago
- ☆19Dec 31, 2024Updated last year
- LillyMol Public Code☆17Updated this week
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Structure-informed machine learning for kinase modeling☆60Updated this week
- ☆14Jan 11, 2022Updated 4 years ago
- Python code for generating Boresch restraints from MD simulations☆23Oct 11, 2025Updated 10 months ago
- Funnel maker is a set of scripts that sets up funnel metadynamics simulations for protein-ligand binding with PLUMED and OpenMM.☆15Jan 3, 2026Updated 7 months ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Feb 24, 2022Updated 4 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.
- ☆14May 15, 2024Updated 2 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆39Jul 15, 2026Updated 3 weeks ago
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated 11 months ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Sep 28, 2021Updated 4 years ago
- A Python tool for automated identification and topological analysis (QTAIM) of Critical Points at the interface between molecular fragmen…☆23Mar 25, 2026Updated 4 months ago
- python API for rowan☆21Updated this week
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated 2 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆82Jun 17, 2026Updated last month
- rdkit scripts making life easier☆80Jun 22, 2026Updated last month
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- CapsNet for Protein Post-translational Modification site prediction.☆25Nov 20, 2019Updated 6 years ago
- Library for prediction of cryptic binding sites☆27Aug 6, 2025Updated last year
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 3 years ago
- Datasets for P2Rank project. https://github.com/rdk/p2rank☆31Nov 8, 2024Updated last year
- Generate Simple Pharmacophore Models with RDKit☆49Mar 10, 2026Updated 5 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆83Mar 18, 2026Updated 4 months ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆54Mar 10, 2025Updated last year
- Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b0122…☆14Sep 27, 2020Updated 5 years ago
- A knowledge-based method for determining small molecule binding "hotspots".☆43May 3, 2024Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Kinome-wide structural pocket similarity☆10Dec 26, 2022Updated 3 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆530Aug 1, 2026Updated last week
- Molecular Property Prediction using GP with a SOAP kernel☆22Nov 16, 2020Updated 5 years ago
- ☆11Sep 2, 2024Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆47Jan 27, 2022Updated 4 years ago
- Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desm…☆23Apr 14, 2026Updated 3 months ago
- MD pharmacophores and virtual screening☆35Dec 15, 2023Updated 2 years ago