☆51Jul 17, 2026Updated 3 months ago
Alternatives and similar repositories for amp_bms
Users that are interested in amp_bms are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆19Apr 13, 2026Updated 6 months ago
- Collection of shallow wrappers around popular Neural Network potentials for use with the NNPot interface in the GROMACS molecular simulat…☆22May 8, 2026Updated 5 months ago
- Machine‑Learning / Molecular‑Mechanics (ML/MM) hybrid calculator and CLI toolset for Mechanistic Investigation of Enzymatic Reactions.☆25Oct 24, 2026Updated last week
- Fast gpu-accelerated rigid-rigid docking onto protein backbones without a sequence.☆12Feb 18, 2026Updated 8 months ago
- DynamicGT: a dynamic-aware geometric transformer model to predict protein binding interfaces in flexible and disordered regions☆17Jun 18, 2026Updated 4 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.
- ☆12Aug 25, 2026Updated 2 months ago
- An engine for electrostatic ML embedding for multiscale modelling.☆31Oct 6, 2026Updated 3 weeks ago
- ShEPhERD-2 code: Interaction Profiles as a Universal Language for Generative Molecular Design☆64Oct 23, 2026Updated last week
- ☆52Jun 15, 2026Updated 4 months ago
- ☆14Updated this week
- FeNNol Pretrained Models Collection☆22Dec 17, 2025Updated 10 months ago
- High level API for using machine learning models in OpenMM simulations☆185Oct 20, 2026Updated last week
- Next generation machine learning force field on enzymatic catalysis☆19Oct 24, 2026Updated last week
- Partial Charge assignment for Molecular Dynamics☆24Aug 11, 2026Updated 2 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.
- A Multi-Task Generative model for Structure-Based Drug Design☆72Oct 12, 2026Updated 3 weeks ago
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆237Apr 17, 2026Updated 6 months ago
- Basis set files for the q-vSZPs basis set and its non-adaptive variant (qavg-vSZPs) together with guidelines how to use them.☆12Jul 7, 2026Updated 3 months ago
- ☆13May 26, 2022Updated 4 years ago
- 👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware☆71Mar 23, 2026Updated 7 months ago
- Public releases of the msmJAX fast electrostatics code☆13Mar 26, 2026Updated 7 months ago
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Mar 6, 2026Updated 7 months ago
- ☆16Sep 19, 2024Updated 2 years ago
- End-to-end Reaction-Path Modeling from PDB Structures Using Machine-Learning Interatomic Potentials☆37Oct 24, 2026Updated last week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Adaptive string method implementation in AmberTools23 and Amber22☆16Jan 7, 2025Updated last year
- A curated, interactive directory of protein design research groups worldwide.☆20Updated this week
- ☆47Dec 30, 2025Updated 10 months ago
- Refit espaloma with energies and forces☆10May 16, 2024Updated 2 years ago
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- Training Neural Network potentials through customizable routines in JAX.☆74Oct 23, 2026Updated last week
- A Rust library for parsing PDB (Protein Data Bank) files☆21Sep 16, 2026Updated last month
- Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.☆11Updated this week
- The scripts for Gen-COMPAS framework☆83Oct 26, 2026Updated last week
- 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.
- galaxydock_dl for public☆11Dec 22, 2024Updated last year
- Force-field-enhanced Neural Networks optimized library☆92Jun 29, 2026Updated 4 months ago
- Run OpenMM with forces provided by any Python program☆44Dec 25, 2024Updated last year
- Computing Protein Electric Field Topology in python, built for high-throughput accelerated calculations☆13Sep 25, 2026Updated last month
- Structure-aware fine-tuning of protein language models for joint prediction of multiple developability properties from protein structure …☆43Jul 5, 2026Updated 3 months ago
- Alchemical Free Energy Calculations with Grand Canonical Ensemble☆24May 2, 2026Updated 6 months ago
- Tool repository for CAR-PNN☆14Oct 7, 2026Updated 3 weeks ago