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All ToolsScientific Computing
7 results
📂

Scientific Computing

Browse AI tools related to Scientific Computing.

Core Capabilities

MDAnalysis logo

MDAnalysis

Scientific Computing

The industry-standard Python library for high-performance molecular dynamics trajectory analysis.

Updated 11d ago
Has API
PricingFree
Free
Trajectory Parsing
Hydrogen Bond Analysis
Solvation Shell Calculation
CP2K logo

CP2K

Development

High-performance molecular dynamics and electronic structure simulations for materials science.

Updated 11d ago
Has API
PricingFree
Free
Ab initio molecular dynamics (AIMD)
Density Functional Theory (DFT) calculations
Transition state search (NEB/Dimer)
Rosetta logo

Rosetta

Developer

Rosetta Commons provides cutting-edge computational methods and shared software for biomolecular modeling and design, fostering open science and accelerating discovery through community collaboration.

Updated 11d ago
PricingFree
Free
Predict protein structures from amino acid sequences
Design novel proteins with desired functions
Model protein-protein interactions
Tellurium logo

Tellurium

Developer

Model, simulate, and analyze biochemical systems with a single tool.

Updated 11d ago
Has API
PricingFree
Free
Model biochemical systems using SBML, Antimony, and CellML
Simulate biochemical models using deterministic and stochastic methods
Analyze model behavior through parameter scans and steady-state analysis
Brian 2 logo

Brian 2

Developer

Brian is a free, open source simulator for spiking neural networks designed for ease of use, flexibility, and extensibility.

Updated 11d ago
PricingFree
Free
Defining neural models using mathematical equations
Simulating the dynamics of spiking neural networks
Analyzing simulation results through plotting and visualization
OQMD logo

OQMD

Developer

OQMD is a database of DFT calculated thermodynamic and structural properties of materials.

Updated 11d ago
Has API
PricingFree
Free
Search for materials by composition
Query materials data based on properties
Create phase diagrams
OpenMM logo

OpenMM

Scientific Computing

High-performance, GPU-accelerated molecular dynamics simulation toolkit for biophysical modeling.

Updated 11d ago
Has API
PricingFree
Free
Protein folding simulations
Ligand binding affinity calculation
Free energy perturbation