☆24May 8, 2026Updated 3 months ago
Alternatives and similar repositories for ptm_prototype
Users that are interested in ptm_prototype are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Models trained on the SPICE dataset☆10Sep 23, 2022Updated 3 years ago
- Automated tools for submitting molecules to QCFractal☆26Updated this week
- ☆26Jun 2, 2026Updated 2 months ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆175May 22, 2026Updated 2 months ago
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆26Jul 17, 2026Updated 3 weeks 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.
- OpenFF NAGL☆22Updated this week
- Tools for polymer molecular dynamics simulations☆16Jul 20, 2026Updated 3 weeks ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆50Jun 5, 2026Updated 2 months ago
- Dihedral scanner with wavefront propagation☆37May 3, 2025Updated last year
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Mar 6, 2026Updated 5 months ago
- Advanced toolkit for binding free energy calculations☆36Sep 2, 2025Updated 11 months ago
- 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
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆41Jun 17, 2026Updated last month
- MDANCE: Hyper-efficient tools to process molecular dynamics simulations.☆147Jul 7, 2026Updated last month
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆82Jul 6, 2026Updated last month
- Scripts, inputs and the results generated as part of the training the Sage line of OpenFF force fields.☆23Jun 30, 2025Updated last year
- EnsembleFlex - Flexibility Analysis of Structure Ensembles☆19Sep 10, 2025Updated 11 months ago
- High Information Mapper (HiMap), successor of the Lead Optimization Mapper (LOMAP)☆17May 3, 2023Updated 3 years ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆37Mar 11, 2026Updated 5 months ago
- STORMM: Structure and TOpology Replica Molecular Mechanics☆84Sep 11, 2025Updated 11 months ago
- Optimization of OpenFF parameters using ForceBalance and QCArchive☆12Jul 26, 2021Updated 5 years ago
- 💊 Cutting-edge automation of computational drug discovery pipelines☆37Jun 14, 2026Updated last month
- ☆64Dec 10, 2025Updated 8 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆15Apr 7, 2022Updated 4 years ago
- ☆18Jan 15, 2026Updated 6 months ago
- Force fields produced by the Open Force Field Initiative☆189Jul 6, 2026Updated last month
- A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes☆53Oct 27, 2025Updated 9 months ago
- Codebase for SigmaDock: Untwisting Molecular Docking with SE(3) Fragmented Diffusion☆94Apr 7, 2026Updated 4 months ago
- Random Acceleration Molecular Dynamics in GROMACS☆46Jul 19, 2024Updated 2 years ago
- A Multi-Task Generative model for Structure-Based Drug Design☆68Updated this week
- The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.☆12Mar 31, 2026Updated 4 months ago
- Similarity pruning engine for conformational ensembles☆23Apr 28, 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.
- ☆46Dec 30, 2025Updated 7 months ago
- ☆33May 25, 2026Updated 2 months ago
- MDPath - A tool for calculating allosteric communication pathways in proteins by analyzing the mutual information of residue dihedral ang…☆31Jul 27, 2026Updated 2 weeks ago
- ☆31Jul 8, 2026Updated last month
- Molecular Dynamics Sub Sampler☆10Jul 24, 2024Updated 2 years ago
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆19Apr 1, 2025Updated last year
- Automated Adaptive Absolute alchemical Free Energy calculator☆123Jul 28, 2026Updated 2 weeks ago