Consensus pharmacophore for Drug Design
☆15Aug 22, 2025Updated 11 months ago
Alternatives and similar repositories for ConcensusPharmacophore
Users that are interested in ConcensusPharmacophore 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 simple Python package to visualize and explain RDKit SlogP_VSA, SMR_VSA, EState_VSA, VSA_EState descriptor and atomic contributions☆16Jul 12, 2026Updated last month
- ☆13Jul 5, 2024Updated 2 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- Tutorial using PLANTS (Protein-Ligand ANTSystem)☆14Jul 27, 2024Updated 2 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆39Jul 15, 2026Updated last month
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- LillyMol Public Code☆17Updated this week
- ☆101Feb 24, 2025Updated last year
- Open-source protein-based pharmacophore modeling software☆42Feb 15, 2025Updated last year
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆36Jul 24, 2026Updated 3 weeks ago
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- ☆24Jul 27, 2021Updated 5 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆33May 22, 2025Updated last year
- ☆54Jan 17, 2026Updated 7 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Ready-To-Use Pymol Plugin for Docking and Minimization☆12Nov 15, 2025Updated 9 months ago
- Parallel Molecular Docking using PLANTS software☆15Dec 8, 2024Updated last year
- CPSign - an open source modeling software made for QSAR, written in Java☆15Aug 17, 2024Updated 2 years ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆22May 19, 2022Updated 4 years ago
- Curate datasets with ease.☆32Sep 19, 2024Updated last year
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆42Jun 17, 2026Updated 2 months ago
- ☆60May 9, 2025Updated last year
- Repository for Q and Q-FEP modules☆27Updated this week
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- 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.
- DeepREAL: A Deep Learning Powered Multi-scale Modeling Framework Towards Predicting Out-of-distribution Receptor Activity of Ligand Bindi…☆11Apr 23, 2022Updated 4 years ago
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆59Jul 5, 2026Updated last month
- [ICML 2026 GenBio Workshop] Official Implementation for "Harmonic Torsional Diffusion for Protein-Ligand Flexible Docking"☆15Jun 30, 2026Updated last month
- A tool to compare two CSV files of SMILES strings, find overlapping compounds by InChIKey prefix, and generate an HTML visualization of …☆16Apr 20, 2025Updated last year
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆18Apr 7, 2025Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆51Jun 5, 2026Updated 2 months ago
- ☆37Oct 20, 2022Updated 3 years ago
- PandaDock: Physics based Molecular Docking with GNN Scoring☆99Aug 4, 2026Updated 2 weeks ago
- Fast Molecular Property Prediction with mordredcommunity☆60Dec 12, 2025Updated 8 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆11Oct 1, 2021Updated 4 years ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆42Oct 30, 2023Updated 2 years ago
- Screening protocol with AUTODOCK-GPU☆14Feb 27, 2023Updated 3 years ago
- Developing a Deep learning classification-based model for screening pharmaceutical compounds with hERG inhibitory activity (cardiotoxicit…☆15Oct 2, 2024Updated last year
- Open-source online virtual screening tools for large databases☆47Mar 11, 2026Updated 5 months ago
- Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock☆58Aug 8, 2026Updated last week
- Fully automated docking pipeline (can be run in distributed environments)☆83Jun 17, 2026Updated 2 months ago