pragmatic-streamlit / streamlit-molstar
☆65Updated 10 months ago
Alternatives and similar repositories for streamlit-molstar:
Users that are interested in streamlit-molstar are comparing it to the libraries listed below
- A python module to plot secondary structure schemes☆25Updated last year
- ☆49Updated this week
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆126Updated this week
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆68Updated 8 months ago
- Web application for protein-ligand binding sites analysis and visualization☆12Updated 2 weeks ago
- ☆78Updated 8 months ago
- Fully automated high-throughput MD pipeline☆59Updated 3 weeks ago
- FreeSASA Python Module☆54Updated last year
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆82Updated 2 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆187Updated 3 months ago
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆104Updated 5 months ago
- ☆85Updated 2 months ago
- Dimorphite-DL adds hydrogen atoms to molecular representations, as appropriate for a user-specified pH range. It is a fast, accurate, acc…☆30Updated last year
- Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated last month
- Simple protein-ligand complex simulation with OpenMM☆83Updated last year
- BitBIRCH clustering algorithm☆65Updated 3 weeks ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆80Updated 10 months ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆37Updated 2 weeks ago
- Modeling with limited data☆56Updated 5 months ago
- An open library to work with pharmacophores.☆45Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆47Updated 3 weeks ago
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆32Updated 3 weeks ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆123Updated last month
- PandaDock: A Physics-Based Molecular Docking using Python☆55Updated this week
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆32Updated last year
- Kinase-focused fragment library☆65Updated 2 months ago
- A python toolkit for analysing membrane protein-lipid interactions.☆63Updated 2 years ago
- PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods☆75Updated last year
- Python-based GUI to collect Feedback of Chemist in Molecules☆49Updated 6 months ago
- Open-source tool for synthons-based library design.☆79Updated 3 months ago