Molecular Simulation
The best 43 Molecular Simulation AI tools - Free & Paid
Explore 43 AI for Molecular Simulation
Synthical is an AI tool in computational chemistry/materials science. It facilitates trend analysis, organic reaction exploration, molecular design using genetic algorithms, and encourages investigation into sustainable technologies across diverse chemical disciplines for enhanced scientific discov
Freemium
Solar Explorer simulates the Solar System with accurate orbital and rotational physics, offering 3‑D views, surface textures, time‑evolution modes, and mission replays of Pioneer, Voyager, and New Horizons for educational and research use.
Freemium
Think Diffusion is an AI art tool that brings pro-level AI art capabilities to anyone with a browser in just a few clicks, providing top-tier models and ControlNet, and allowing for easy launch of additional virtual machines for simultaneous use.
Free trial
- $29.99/mo
Stable Diffusion Online lets users generate photo‑realistic images from text using the Stable Diffusion XL model. It offers fast GPU‑accelerated rendering, real‑time inpainting/outpainting, a 9‑million‑entry prompt database, and no prompt or image storage.
Free
gNucleus is an AI platform that labels CAD and simulation data, trains custom models, and deploys them across public or private clouds. It automates specification, CAD creation from text or DXF, runs multi‑physics simulations, and optimizes results.
Freemium
- $29.99/mo
Mursion offers an AI‑driven simulation platform for risk‑free practice in leadership, customer service, sales, and healthcare. It delivers realistic scenarios with live coaching, real‑time feedback, analytics, and secure enterprise integration to improve skill retention.
Free
Runway offers Gen‑4.5 generative video and GWM‑1 world models for real‑time simulation, robotics, and interactive environments. Its Characters API creates autonomous video agents from a single image. Ideal for filmmakers, architects, game developers, and educators.
Free
Coval lets teams test, monitor, and manage conversational AI agents by simulating thousands of realistic interactions, tracking metrics such as latency and intent accuracy, sending real‑time alerts, and supporting role‑specific workflows—all under SOC2, HIPAA, and GDPR compliance.
Freemium
Synthace is a software and consulting platform that automates multivariate experimental design for assay development, media optimization, and miniaturized purification. It integrates with lab dispensers and LIMS, standardizes workflows, and accelerates data‑driven insights for drug discovery, HTS, a
Freemium
Web-based Dreambooth Google Colab and web UI interface for stable Diffusion.
Free
Citrine Informatics offers an enterprise SaaS platform that uses generative AI to accelerate materials research. It captures structured data, runs large‑scale virtual experiments, and evaluates trade‑offs, helping engineers, chemists, and analysts shorten development cycles and cut R&D costs.
Freemium
Enki™ is a generative AI platform for early‑stage drug discovery that designs synthesizable small molecules meeting user‑defined targets and over 50 properties, delivering synthesis‑ready candidates within weeks. It supports oncology and therapeutic areas, and integrates with research and partners f
Free
TrialPioneer is an AI‑enabled workspace that integrates literature search, data analysis, and scenario modeling for clinical trial design. It automates PubMed, ClinicalTrials.gov, and FDA data collection, harmonizes datasets, and simulates design scenarios to reduce iteration cycles and sample sizes
Freemium
Subatomic deploys AI Co‑Workers that integrate with existing tools—chat, email, Teams, Slack—to clean data, automate routine tasks, generate real‑time reports, and surface insights, cutting turnaround from weeks to minutes without developer involvement or added staff.
Freemium
- $33/mo
Calcgen AI enables users to create custom interactive charts, graphs, and calculators for data visualization. It includes tools for financial analysis, scientific calculations, and educational purposes, catering to a broad range of professional needs.
Subscription
fe/male switch is a web-based simulation game that empowers women entrepreneurs through team collaboration, mentorship, and virtual investor connections. Users engage in challenges and access expert resources to develop essential entrepreneurial skills and track their progress.
Free trial
StudySim is an AI-powered tool that generates personalized study guides, quizzes, and flashcards from various file types. It adapts to individual learning styles and offers instant feedback, promoting effective studying and collaborative learning among peers.
Freemium
Minicule is an AI tool for medical research, aggregating verified scientific records. It offers advanced search for FDA-approved treatments and clinical trials, supports autonomous agents for discovery, and ensures data privacy with self-hosting options.
Free trial
Metail EcoShot converts 3D apparel CAD models into realistic on‑model images within ten minutes using computer vision and GANs. It produces marketing‑ready photos, size‑streamed mockups, and fit visualizations without physical prototypes.
Freemium
Mimetic Labs is a 3D model preparation platform that transforms sketches, images, and CAD files into printable models. It automates repair, analysis, and optimization to streamline workflows from design to slicing.
Freemium
MagicAnimate animates static images with temporally consistent motion using a diffusion model and MSE‑finetuned VAE, supports cross‑ID animation, pose‑driven motion via OpenPose, and can animate text‑generated images. Open‑source, local or via Hugging Face/Replicate.
Free
mirofish is a swarm-intelligence prediction engine that extracts seed inputs (news, policies, financial signals) to run large-scale multi-agent simulations with thousands of agents, producing detailed forecasts, interactive scenario environments, and queryable results for decision support and hypoth
Free
Showrunner lets creators write, direct, and produce animated episodes in a simulated city of AI characters, upload personal avatars, collaborate via Discord, instantly customize art styles, and join community events and competitions.
Freemium
GoalSim is an AI life goal simulator that generates branching, choice-driven narratives to simulate the pursuit of long-term goals. It features adaptive stories, character stats, and multiple modes for strategy, writing, or educational decision-making practice.
Freemium
- $2.99
M D.app generates images via txt2img, img2img, inpaint, and upscale using Stable Diffusion 1.5/SDXL. Its timeline organizes prompts, supports multiplayer collaboration, and includes a moodboard compositor for infinite image compositions. Built for Windows (CUDA) and macOS (M1).
Freemium
Sahil is an AI-powered electronic lab notebook for bio-pharma professionals, offering easy document management, rapid search capabilities, and streamlined collaboration. It enhances research efficiency by transitioning users from paper to a centralized digital platform.
Free
Kling 2.6 is an AI video generator that creates physics-simulated motion and synchronized audio for realistic results. It features rapid prototyping, multi-modal editing for modifying existing footage, and professional export options for high-fidelity workflows.
Free trial
- $7.99
mirofish.homes is a chat workspace for AI-powered scenario simulation and text-first orchestration. It builds interaction graphs, runs simulations, and generates structured reports for teams to model outcomes like brand risks or policy debates.
Free
Dymolab is an interactive demo software that customizes product presentations based on viewer data, enhancing engagement through analytics and tailored experiences, while facilitating easy distribution across various platforms for sales and marketing teams.
Free trial
Finetuned Diffusion is a pre-trained model for text generation tasks on Hugging Face's Space platform. It can be used in Colab without waiting in a queue.
Free
Simulation-driven platform that evaluates and monitors AI agents across modalities with realistic multi-turn scenarios, CI/CD-integrated automated tests, configurable safety/policy guardrails, and analytics for failures, hallucinations, and performance to ensure production readiness.
Free trial
Devstral 2 and Devstral Small 2 are open-source coding models designed for autonomous code automation and development, offering state-of-the-art performance and cost-efficiency.
Free
Marble generates spatially consistent, high‑fidelity 3D worlds from text, images, video, or panoramas. It allows precise layout control, interactive editing of geometry and materials, and export to game engines, simulation pipelines, and virtual production formats.
Freemium
Walks of Life AI is a desktop app that evaluates sustainability ideas from a URL, offering toggles for communal fridges, water purification, solar devices, and recycled fashion. It presents cost savings, resource use, and community impact for quick strategy comparison.
Freemium
Quantum Copilot is an AI‑driven assistant for quantum developers that generates, translates, and visualizes code across OpenQASM, Q#, Qiskit, Cirq, Quil, and more. It supports Jupyter integration, cloud simulation, real‑hardware execution, and offers an API, CLI, and conversational support.
Freemium
ATOMS uses AI-assisted development to rapidly prototype apps and demos, enabling fast product validation and internal testing, with built-in workflow automation, payment and customer-acquisition features, team access controls, and configurable deployment and integrations.
Freemium
- $20/mo
InterviewSim is an AI tool that offers mock interviews with job-specific questions, allowing users to practice their skills. It provides performance analysis and personalized feedback to help candidates improve and build confidence for real-world interviews.
Freemium