pragmatic-streamlit / streamlit-molstar
☆46Updated 5 months ago
Related projects ⓘ
Alternatives and complementary repositories for streamlit-molstar
- A python module to plot secondary structure schemes☆25Updated last year
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆60Updated 2 months ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆50Updated 3 weeks ago
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆30Updated last week
- Cloud-based Drug Binding Structure Prediction☆33Updated 2 months ago
- Molecular filtering for drug discovery.☆53Updated this week
- Python-based GUI to collect Feedback of Chemist in Molecules☆38Updated last month
- ☆61Updated 2 months ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆31Updated this week
- Modeling with limited data☆54Updated last week
- Kinase-focused fragment library☆64Updated last week
- Computational Chemistry Workflows☆53Updated 2 years ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆43Updated 3 years ago
- Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆35Updated last week
- ai_in_chemistry_workshop☆71Updated 2 months ago
- Calculation of interatomic interactions in molecular structures☆79Updated 2 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆27Updated 7 months ago
- ☆85Updated last year
- Updated version of Silicos-it's shape-based alignment tool☆40Updated 7 months ago
- A knowledge-based method for determining small molecule binding "hotspots".☆35Updated 6 months ago
- Materials from the 2023 RDKit UGM☆34Updated 10 months ago
- ☆50Updated 4 months ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆49Updated last month
- ☆29Updated last month
- scikit-learn classes for molecular vectorization using RDKit☆120Updated last month
- ☆49Updated last year
- A python toolkit for analysing membrane protein-lipid interactions.☆60Updated last year
- A Python library for structural cheminformatics☆93Updated 8 months ago
- An OpenMM plugin that implements the Alchemical Transfer Potential☆37Updated last year
- FreeSASA Python Module☆48Updated last year