DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations
☆20Aug 20, 2024Updated last year
Alternatives and similar repositories for DeepDriveMD-pipeline
Users that are interested in DeepDriveMD-pipeline are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Machine learning for molecular dynamics☆13Jan 9, 2025Updated last year
- Tutorial notebooks for SciFM24☆11Apr 2, 2024Updated 2 years ago
- Library for steering campaigns of simulations on supercomputers☆60Jun 2, 2025Updated 11 months ago
- Adaptive Parallel PDF Parsing and Resource Scaling Engine☆67Dec 17, 2025Updated 4 months ago
- NonEquilibrium Reaction-Diffusion Self-assembly Simulator☆14Feb 18, 2026Updated 2 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.
- Robust and stable clustering of molecular dynamics simulation trajectories.☆19Sep 2, 2022Updated 3 years ago
- Examples and data for performing path similarity analysis (PSA).☆17Oct 23, 2015Updated 10 years ago
- Advanced data flow management for distributed Python applications☆38Apr 28, 2026Updated last week
- High throughput workflows and automation for HPC☆84Jun 23, 2025Updated 10 months ago
- GraphVAMPnets combines graph neural networks with variational approach for Markovian process (VAMP) theory to identify the slow collectiv…☆12Feb 20, 2024Updated 2 years ago
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆20Oct 31, 2019Updated 6 years ago
- An Interface-Predicting Language Model for Designing Peptide-Guided Protein Degraders☆16Sep 10, 2024Updated last year
- Main repository for METAGUI3☆21Jun 19, 2021Updated 4 years ago
- A LLM chat UI.☆31Updated this week
- 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.
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆68Jun 1, 2025Updated 11 months ago
- Python package template☆19Updated this week
- ☆17Mar 21, 2017Updated 9 years ago
- The GB99dms implicit solvent force field for proteins, plus scripts and data☆27Sep 19, 2025Updated 7 months ago
- Implementation code for the paper "Aggregating Residue-Level Protein Language Model Embeddings with Optimal Transport"☆23May 3, 2025Updated last year
- Create new MOFs by combining generative AI and simulation on HPC☆29Mar 20, 2026Updated last month
- Distributed Bayesian Optimization☆23Jun 29, 2020Updated 5 years ago
- pKa estimates for proteins using an ensemble approach☆30Jul 11, 2025Updated 9 months ago
- RADICAL-Pilot☆64Jan 16, 2026Updated 3 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.
- ☆13Apr 30, 2024Updated 2 years ago
- ☆20Jun 26, 2020Updated 5 years ago
- Tools for mesh manipulation (Voxelizer, WinMeshView)☆11Jul 28, 2017Updated 8 years ago
- An experimental package for deep learning for molecular docking☆21Mar 21, 2020Updated 6 years ago
- RiboNN: predicting translation efficiencies from mRNA sequences☆56Jan 12, 2026Updated 3 months ago
- The official Python library for the Log-hub API☆16Oct 27, 2025Updated 6 months ago
- A Python package for Bayesian model mixing☆11Apr 23, 2026Updated last week
- Julia implementation of flash-attention operation for neural networks.☆11May 31, 2023Updated 2 years ago
- Simulation-Enabled Estimation of Kinetic Rates - Version 2☆35Dec 10, 2025Updated 4 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Learning Molecular Dynamics with Simple Language Model built upon Long Short-Term Memory Neural Network☆44Jun 23, 2022Updated 3 years ago
- A Python toolkit for coordinating asynchronous and dynamic ensembles of calculations.☆76Updated this week
- spotify cli for the official client via dbus☆13May 5, 2020Updated 6 years ago
- TomoBEAR is a configurable and customizable modular pipeline for streamlined processing of cryo-electron tomographic data for subtomogram…☆29Jun 29, 2025Updated 10 months ago
- Code for performing adversarial attacks on atomistic systems using NN potentials☆40Oct 3, 2022Updated 3 years ago
- Tree Search Molecular Dynamics Simulation☆11Aug 25, 2019Updated 6 years ago
- Quantum Chemistry Teaching Labs and Exercises☆11Aug 16, 2022Updated 3 years ago