screenlamp is a Python toolkit for hypothesis-driven virtual screening
☆24Mar 19, 2018Updated 8 years ago
Alternatives and similar repositories for screenlamp
Users that are interested in screenlamp 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 novel approach to pose selection in protein-ligand docking based on graph theory.☆20Nov 22, 2016Updated 9 years ago
- Probabilistic Multi-Parameter Optimization (pMPO)☆17Sep 11, 2026Updated last month
- 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…☆78Aug 23, 2022Updated 4 years ago
- Software for analyzing multiple protein-protein interaction docking solutions, calculating contact regions using mdtraj, and visualizing …☆12Jun 16, 2017Updated 9 years ago
- The MULTICOM protein structure system. This repository includes the source code and documents of both template-based and template-free mo…☆17Nov 2, 2021Updated 4 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.
- ☆10Dec 4, 2021Updated 4 years ago
- Calculates hydrogen-bond interaction tables for protein-small molecule complexes, based on protein PDB and protonated ligand MOL2 structu…☆28Nov 6, 2019Updated 6 years ago
- JS/HTML5 webapp for setting up custom GPU-accelerated OpenMM molecular dynamics simulations.☆12Nov 14, 2017Updated 8 years ago
- Software for error-tolerant coding of information into DNA sequences using finite-state transducers.☆12Jan 8, 2017Updated 9 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Sep 29, 2025Updated last year
- Activity From Virtual Screening Code Repository☆24Aug 30, 2017Updated 9 years ago
- Model-based Analysis of Protein Degradability☆12Aug 30, 2021Updated 5 years ago
- A fork of Autodock Vina for DeltaVina scoring function☆10Nov 7, 2016Updated 9 years ago
- ☆13Mar 31, 2018Updated 8 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Python command line tools as productivity supplements for Posix systems☆17Apr 4, 2024Updated 2 years ago
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆33Sep 9, 2020Updated 6 years ago
- SaffronTree: Reference free rapid phylogenetic tree construction from raw read data☆25Jun 11, 2020Updated 6 years ago
- Dock Multiple Ligands with AutoDock Vina with one Command☆11Jan 10, 2018Updated 8 years ago
- Ligand-based Virtual Screening using Deep Learning☆16Mar 25, 2025Updated last year
- Tool collection to integrate and mix OpenEye and OpenMM☆14Jul 17, 2023Updated 3 years ago
- Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.☆35Jan 2, 2021Updated 5 years ago
- A quantitative benchmark and analysis of molecular large language models.☆20Jun 3, 2025Updated last year
- Model Evaluation Toolkit☆28Apr 17, 2019Updated 7 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.
- ☆11Oct 20, 2026Updated last week
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆31Dec 30, 2022Updated 3 years ago
- A pipeline to do virtual screening☆10Oct 4, 2023Updated 3 years ago
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Oct 21, 2020Updated 6 years ago
- A toolkit for predicting the binding mode of small molecules interacting with proteins based on interfacial rigidification, as assessed b…☆10Nov 22, 2016Updated 9 years ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Mar 4, 2018Updated 8 years ago
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- ☆13Jul 11, 2017Updated 9 years ago
- Data files for the molecular modelling course☆14Jan 26, 2024Updated 2 years 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.
- RNAz - predicting structural noncoding RNAs☆14Oct 21, 2019Updated 7 years ago
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- Deep learning + physical modeling for 3D protein metal ion binding prediction☆14Feb 24, 2025Updated last year
- ☆43Apr 21, 2022Updated 4 years ago
- Online tool for comparing prices and feasibility of DNA synthesis☆22Mar 2, 2023Updated 3 years ago
- A collection of molecular modelling tools for UCSF Chimera☆18Mar 26, 2019Updated 7 years ago
- CRAN Task View: Clinical Trial Design, Monitoring, and Analysis☆11Oct 3, 2026Updated 3 weeks ago