Automatically exported from code.google.com/p/acpype
☆12May 11, 2015Updated 11 years ago
Alternatives and similar repositories for acpype
Users that are interested in acpype are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Parse a SDF file and convert it to an array of objects☆11May 25, 2026Updated 5 months ago
- ☆32Apr 18, 2025Updated last year
- ☆16Dec 24, 2016Updated 9 years ago
- ☆11Jun 13, 2023Updated 3 years ago
- Data files for the molecular modelling course☆14Jan 26, 2024Updated 2 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.
- ☆41Nov 2, 2024Updated 2 years ago
- Uni-Dock-Benchmarks contains a curated collection of datasets and benchmarking tests for evaluating the performance and accuracy of the U…☆18Feb 11, 2026Updated 8 months ago
- Container-based installation of pymol, with interaction through the browser via Jupyter notebook☆20May 22, 2019Updated 7 years ago
- Python toolkit for pre- and post-processing of FMO calculations☆17Oct 4, 2026Updated last month
- An elegant and simple way to upload iGEM Wikis.☆14Oct 20, 2021Updated 5 years ago
- MMGX: Multiple Molecular Graph eXplainable Discovery☆22Apr 28, 2026Updated 6 months ago
- ☆39Dec 6, 2012Updated 13 years ago
- A package for molecular dynamics analysis and parallel tempering in GROMACS☆11May 25, 2021Updated 5 years ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆11Aug 1, 2026Updated 3 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Python for chemoinformatics☆236Jun 26, 2021Updated 5 years ago
- Materials from the 2016 RDKit UGM☆40Jan 9, 2017Updated 9 years ago
- Boosting Docking-Based Virtual Screening with Deep Learning☆33Apr 2, 2020Updated 6 years ago
- Display a vector of things in a tabular format.☆11Jan 30, 2025Updated last year
- NDSLICE wrapper for LAPACK☆12Dec 19, 2023Updated 2 years ago
- Hands-on workshop on NGS data analysis @ NARO☆11Oct 24, 2023Updated 3 years ago
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆70Jun 1, 2025Updated last year
- AdaptiveFlow for Ligand Preparation (AFLP)☆10May 27, 2026Updated 5 months ago
- ☆11Nov 5, 2019Updated 6 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Best Practices article (intended for LiveCoMS) treating simulation software validation and physical validation☆10Dec 11, 2017Updated 8 years ago
- A Multi-Task Generative model for Structure-Based Drug Design☆72Oct 12, 2026Updated 3 weeks ago
- For discussing and aggregating data for force field development☆15Oct 19, 2016Updated 10 years ago
- Subset of AmberTools, with updates and modifications☆25Updated this week
- The current version of DDSCAT. Discrete Dipole Scattering (DDSCAT) code for calculating scattering and absorption of light by irregular p…☆12Sep 12, 2020Updated 6 years ago
- ☆10Mar 27, 2025Updated last year
- MD simulation trajectory visualization tool☆10Dec 23, 2023Updated 2 years ago
- ☆13Jan 25, 2026Updated 9 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Arduino code for relaying SMA inverter BT messages to pvoutput.org☆13Aug 5, 2012Updated 14 years ago
- ☆10Sep 25, 2019Updated 7 years ago
- RCSB Python Database Utility Classes☆11Updated this week
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Jul 28, 2022Updated 4 years ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 3 years ago
- http://hg.furius.ca/public/snakefood/☆11Oct 30, 2014Updated 12 years ago
- OpenCL porting of the GROMACS molecular simulation toolkit☆27Sep 5, 2015Updated 11 years ago