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
- Software for error-tolerant coding of information into DNA sequences using finite-state transducers.☆12Jan 8, 2017Updated 9 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…☆72Aug 23, 2022Updated 3 years ago
- Model Evaluation Toolkit☆27Apr 17, 2019Updated 6 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.☆18Jun 3, 2025Updated 9 months ago
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Oct 21, 2020Updated 5 years ago
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 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
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- Probabilistic Multi-Parameter Optimization (pMPO)☆17Apr 7, 2017Updated 8 years ago
- A collection of molecular modelling tools for UCSF Chimera☆18Mar 26, 2019Updated 6 years ago
- ☆13Mar 31, 2018Updated 7 years ago
- Online tool for comparing prices and feasibility of DNA synthesis☆22Mar 2, 2023Updated 3 years ago
- McDock: Simple Monte Carlo docking algorithm in C++☆11Feb 10, 2017Updated 9 years ago
- Biological Graphic tool in Python☆34May 14, 2020Updated 5 years ago
- Namespace encoding hierarchical relationships between proteins, protein families, and protein complexes.☆12Mar 9, 2021Updated 5 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
- Train word2vec on Pubmed data, compare 2 GO terms, compare 2 genes.☆12Apr 7, 2017Updated 8 years ago
- kaamer - protein identification based on amino acid kmers☆12Mar 7, 2023Updated 3 years ago
- Quickly find and score consensus between metabolite identifications and gene annotations☆18Nov 10, 2025Updated 4 months ago
- A server for maintaining high-throughput sequencing QC data☆13Aug 5, 2025Updated 7 months ago
- 💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery☆37Sep 18, 2024Updated last year
- Digital Database of Microbial Phenotypes. Like an online Bergey's Manual.☆13Mar 1, 2012Updated 14 years ago
- Molecular MHFP fingerprints for cheminformatics applications☆97Feb 16, 2023Updated 3 years ago
- A command line application to launch molecular dynamics simulations with OpenMM☆40Apr 7, 2022Updated 3 years ago
- Simple HTTP redirector for tmpnb nodes☆12Sep 20, 2017Updated 8 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
- ABC of chemoinformatics☆20Aug 3, 2018Updated 7 years ago
- Data and scripts for comprehensive benchmark of conformer relative energies☆25Jul 9, 2020Updated 5 years ago
- Helps you make tutorials with IPython Notebook, using doctests for student feeback.☆29Apr 30, 2016Updated 9 years ago
- Integrative visualization of multiple omic datasets onto KEGG pathways.☆11Oct 4, 2021Updated 4 years ago
- Working with molecular structures in pandas DataFrames☆752Aug 1, 2024Updated last year
- Automated omics-scale protein modeling and simulation setup.☆53Sep 20, 2021Updated 4 years ago
- ☆28Oct 27, 2021Updated 4 years ago
- Normalization and difference calling for Next Generation Sequencing (NGS) data via joint multinomial modeling.☆11Oct 8, 2021Updated 4 years ago
- ☆14Jun 4, 2021Updated 4 years ago
- PyTorch bindings for openai-gemm☆20Feb 6, 2017Updated 9 years ago
- gTaxon - a fast cross-platform NCBI taxonomy data querying (gi2taxid, taxid2taxon, name2taxid, LCA) tool, with cmd client and REST API se…☆14Jul 24, 2016Updated 9 years ago