A conda-smithy repository for ambertools.
☆11Mar 17, 2026Updated last week
Alternatives and similar repositories for ambertools-feedstock
Users that are interested in ambertools-feedstock are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Open Source Antibiotics Series 2☆10Jan 23, 2023Updated 3 years ago
- Advanced tutorials for WESTPA 2.0☆15Feb 27, 2026Updated 3 weeks ago
- Tutorials and additional documentation for the WESTPA suite☆16Oct 20, 2025Updated 5 months ago
- Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.☆11Jul 15, 2024Updated last year
- ☆10Jun 24, 2023Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling metho…☆22Sep 26, 2024Updated last year
- The OpenMM Cookbook and Tutorials☆56Feb 11, 2026Updated last month
- Different run and analysis scripts as described in the research guides.☆14Jul 5, 2022Updated 3 years ago
- Automated tools for submitting molecules to QCFractal☆27Feb 23, 2026Updated last month
- Another Molecular String Representation☆10Updated this week
- A primer on statistical mechanics for biochemists☆48Sep 5, 2022Updated 3 years ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆24Jul 21, 2024Updated last year
- A tutorials suite for BioSimSpace.☆35Oct 22, 2025Updated 5 months ago
- Get access to our MD data files.☆31Nov 22, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A python code to calculate the Brownian motion of colloidal particles in a time varying force field.☆20Nov 16, 2024Updated last year
- A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Bou…☆26Sep 21, 2022Updated 3 years ago
- Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges☆25Jun 2, 2025Updated 9 months ago
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆42Jan 29, 2026Updated last month
- Flexible storage of chemical topology for molecular simulation☆68Mar 16, 2026Updated last week
- Materials for 2023 workshop at CCPBioSim Training Week https://www.ccpbiosim.ac.uk/events/upcoming-events/eventdetail/104/-/training-week☆31Sep 27, 2023Updated 2 years ago
- Advanced toolkit for binding free energy calculations☆34Sep 2, 2025Updated 6 months ago
- Academic license pre-required. While FEP Plus charge you 100,000 USD per year. Here comes the FEP-Minus, it is a Schrodinger FEP Plus ide…☆24Jul 28, 2024Updated last year
- Repository for the 2024 OpenFE industry benchmark efforts☆34Oct 3, 2025Updated 5 months 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.
- Pharmacophore tool based on OpenEye toolkits☆10Feb 22, 2016Updated 10 years ago
- ☆21Mar 14, 2023Updated 3 years ago
- WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis☆212Updated this week
- Best practice document for alchemical free energy calculations going to livecoms journal☆86Feb 25, 2026Updated last month
- ☆32Oct 19, 2023Updated 2 years ago
- RNAGym is an extensive benchmark suite and resource for RNA fitness and structure prediction☆30Feb 25, 2026Updated last month
- Analysis of non-covalent interactions in MD trajectories☆67Jan 3, 2025Updated last year
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆30Jan 23, 2024Updated 2 years ago
- Force Distribution Analysis (FDA) for GROMACS☆35Jun 18, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- ☆11Jul 18, 2022Updated 3 years ago
- Materials for the 2021 PRACE Workshop @ SurfSARA☆30Nov 11, 2021Updated 4 years ago
- This package contains tools for setting up hybrid-topology FE calculations☆38Mar 18, 2026Updated last week
- ☆21Jul 16, 2025Updated 8 months ago
- ☆14Jul 7, 2025Updated 8 months ago
- Calculation of water/solvent partition coefficients with Gromacs.☆29Oct 14, 2024Updated last year
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆89Mar 16, 2026Updated last week