yuxuanzhuang / ggmolvis
Molecular visualization for MDAnalysis with MolecularNodes in Blender
☆16Updated this week
Alternatives and similar repositories for ggmolvis:
Users that are interested in ggmolvis are comparing it to the libraries listed below
- example demonstrating a free energy estimation starting from OFF and OpenMM☆11Updated 4 years ago
- A bridge between Biotite and OpenMM☆14Updated 2 weeks ago
- Robust and stable clustering of molecular dynamics simulation trajectories.☆18Updated 2 years ago
- ☆25Updated last year
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 4 years ago
- ☆16Updated 2 years ago
- ☆14Updated 2 years ago
- VMD Audio/Text control with natural language☆19Updated 3 years ago
- Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space☆23Updated 2 weeks ago
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆12Updated 2 weeks ago
- The OpenMM Cookbook and Tutorials☆41Updated last year
- Hückel model + JAX☆12Updated 2 years ago
- Run OpenMM with forces provided by any Python program☆32Updated 3 months ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆19Updated 2 months ago
- Cloud-based Drug Binding Structure Prediction☆35Updated 2 weeks ago
- Contributed and additional nodes for maize☆14Updated this week
- Models trained on the SPICE dataset☆10Updated 2 years ago
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆17Updated 3 years ago
- Exploratory work on free energy calculations with GROMACS using "separated topologies" approach (Rocklin et al., 2013).☆24Updated 3 months ago
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆20Updated 11 months ago
- Subpocket-based fingerprint for kinase pocket comparison☆32Updated last year
- ☆18Updated 5 years ago
- Multiscale Simulation Tool for Backmapping☆16Updated last week
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆15Updated last year
- Shape-based alignment of molecules using 3D point-based representation☆21Updated last year
- Molecular Property Prediction using GP with a SOAP kernel☆21Updated 4 years ago
- Some notes (cookbook) for pyMol. Protein Crystallography course.☆15Updated 3 years ago
- Differentiably evaluate energies using SMIRNOFF force fields☆16Updated 3 months ago
- This repository is the used for teaching the Physical Chemistry Practicum about Molecular Dynamics (MD) simulations for pharmacy and biol…☆11Updated 4 years ago
- Tools to build coarse grained models and perform simulations with OpenMM☆22Updated 2 years ago