Utilities for molecular volume calculation
☆11Jun 4, 2018Updated 8 years ago
Alternatives and similar repositories for molecularvolume
Users that are interested in molecularvolume are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automated calculation of cavity in molecular cages☆27Dec 7, 2025Updated 8 months ago
- open toolbox for structural comparison☆13Dec 13, 2018Updated 7 years ago
- Badly written scripts for making cryoEM easier☆13Dec 15, 2020Updated 5 years ago
- Embedding module for VASP and tools for its use.☆11Jul 1, 2026Updated 2 months ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 7 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Bottom-up Open-source Coarse-graining Software☆24Jun 12, 2026Updated 2 months ago
- calculate set voronoi diagrams☆10Oct 24, 2019Updated 6 years ago
- A build recipe for Multiwfn on MacOS☆50Jul 26, 2026Updated last month
- A Matlab implementation for automatic segmentation with a graphical user interface☆17Apr 7, 2019Updated 7 years ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆29Jan 16, 2024Updated 2 years ago
- ☆14Jul 7, 2025Updated last year
- Automatic generation of LAMMPS data file for atomistic and coarse-grained simulations of molecular and polymeric materials with various t…☆25Aug 17, 2026Updated 2 weeks ago
- A package for calling DEL selections and running data analysis on the results☆19Aug 13, 2026Updated 3 weeks ago
- VoxelNet Implementation for Usage on Win and Linux Systems☆10Jul 9, 2019Updated 7 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.
- Chemical Space Visualization☆21Aug 11, 2026Updated 3 weeks ago
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆12Apr 11, 2021Updated 5 years ago
- A model named ATMOL for predicting molecular property☆10May 2, 2022Updated 4 years ago
- Patient Genomics Research Case☆15Jun 12, 2019Updated 7 years ago
- AI for a cure, a combination of Latent-GAN and VAE-JTNN to create 100% valid drug like molecules☆10Mar 16, 2020Updated 6 years ago
- Entropy from PDB conformational ensembles☆13Mar 28, 2024Updated 2 years ago
- PNP+NS Solver in Python☆16Apr 19, 2018Updated 8 years ago
- ☆11Jan 6, 2016Updated 10 years ago
- A Toolbox for Dynamic Mapping in Python☆29Aug 26, 2025Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆34Updated this week
- ☆11Oct 18, 2019Updated 6 years ago
- This practical includes processing of digital signals using Fast Fourier Transform☆19Nov 11, 2024Updated last year
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- Crystal structure analysis with Hirshfeld surfaces, intermolecular interaction energies and more☆30Mar 18, 2026Updated 5 months ago
- (backup fork since google code is going down)☆12Mar 12, 2015Updated 11 years ago
- ☆14Oct 2, 2024Updated last year
- Supporting Information of Publications☆14Mar 24, 2019Updated 7 years ago
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆17Feb 6, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- bioscrape (Bio-circuit Stochastic Single-cell Reaction Analysis and Parameter Estimation)☆16Jan 9, 2021Updated 5 years ago
- Molecular (Van der Waals) surface.☆20Oct 22, 2014Updated 11 years ago
- ☆18Jun 12, 2022Updated 4 years ago
- ☆12May 23, 2018Updated 8 years ago
- Electrochemical reaction rate modeling and nonequilibrium phase maps (via AD)☆23Jul 13, 2023Updated 3 years ago
- Tools for polymer molecular dynamics simulations☆17Updated this week
- Code to simulate the Cahn-Hilliard equation☆20May 10, 2019Updated 7 years ago