In Silico Chemistry Simulation
The best 50 In Silico Chemistry Simulation AI tools - Free & Paid
Explore 50 AI for In Silico Chemistry Simulation
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
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
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
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
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
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
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
Supernova.io is an AI collaborative workspace enabling product teams to prototype, manage design systems, sync tokens, convert Figma prototypes into production-ready components and code, and maintain searchable documentation, governance, and integrations for cross-team alignment.
Free
- $20/mo
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
Bench automates end‑to‑end design workflows, converting STL meshes to parametric CAD and running simulations within existing CAD, CAE, and PLM tools. It cuts iteration time from days to minutes and supports collaboration with integrated review and role‑based security.
Freemium
Intern-S1-Pro is a multimodal large model for complex reasoning and technical problem solving, offering long-form mathematical proofs and IMO-level solutions, code generation, debugging and algorithm design, formal logic workflows, Go game analysis, and an API for integration.
Freemium
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
Synthetic Users generates AI‑driven participant interviews that mimic real user behavior for rapid discovery, concept testing, and continuous insight. Using OCEAN‑based personas, it eliminates recruitment overhead, maintains 85‑92 % thematic parity, and is SOC 2 compliant.
Paid
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
SiliconFlow is an AI infrastructure platform enabling high-speed inference for LLMs and multimodal applications, supporting serverless, reserved, and private-cloud deployments. It offers low-latency processing, elastic compute, and built-in monitoring for scalable, cost-efficient AI workloads.
Freemium
SciSummary extracts abstracts, methods, results, and conclusions from scientific papers, supports bulk summarization and comparative overviews, provides AI‑generated figure statistics, and indexes up to 1,000 documents for semantic search to aid researchers in managing literature.
Freemium
- $6.99/mo
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
Alchemi is an enterprise SEO platform that optimizes visibility in zero‑click AI searches by reverse‑engineering LLM retrieval logic, managing technical SEO at scale, and measuring AI citation impact to drive intent and conversion for marketers, SEO specialists, and analysts.
Freemium
- $37
Web-based Dreambooth Google Colab and web UI interface for stable Diffusion.
Free
Solvely delivers AI‑driven homework help from kindergarten to graduate level, solving handwritten, typed, or photo math problems with step‑by‑step explanations, generating quizzes, essays, and audio‑to‑notes, while integrating with major LMS and permitting unlimited follow‑ups.
Free
Synthesis Tutor adapts math lessons for children 5‑11, using AI‑driven assessments and instant feedback to personalize instruction across K‑5 topics. It offers multimodal content, automatic progress reports, and a sensory‑friendly environment for neurodiverse learners, available on iPad, desktop, an
Subscription
- $45/mo
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
Simular.ai is an open-source AI tool for macOS that automates workflows using human-like interactions. It records and scripts actions to streamline business processes across healthcare, finance, and customer service.
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
CodeLogician converts code into formal models, using neurosymbolic reasoning to build a MetaModel of dependencies across files. It generates test cases, verifies changes, finds hidden bugs, and supports regulated teams with instant, auditable software insights.
Freemium
LearnFast AI offers a 24/7 instant solver for physics and math problems, providing step‑by‑step solutions using GPT‑4o. It handles calculations, text, and image inputs, supporting students, tutors, and lifelong learners with flexible submission options.
Free
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
Study Point AI delivers instant, step‑by‑step math solutions, AI‑assisted writing feedback, and tutoring across math, science, programming, and history. It includes graph plotting, an interactive periodic table, 3‑D solar explorer, custom quizzes, mind‑maps, progress analytics, and adaptive learning
Subscription
- $6.99/mo
Sanctuary AI’s Phoenix robot is an industrial‑grade humanoid that learns from high‑fidelity simulation to perform autonomous, dexterous manipulation in automotive, manufacturing, and logistics tasks. It features hydraulic hands, tactile feedback, robust torque, and NVIDIA Isaac Lab sim‑to‑real train
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
Inception Labs' diffusion-based large language models (dLLMs) offer faster, more efficient, and cost-effective text generation than traditional autoregressive models. With built-in error correction, multimodal support, and structured output control, they excel in function calling and complex data ge
Freemium
Quiz Solver AI is a browser extension that automatically detects quiz questions on LMSs and PDFs, offering QuickSnap and Ghost Mode. It delivers instant, step‑by‑step answers—solve, explain, calculate, translate, rewrite, summarize, generate options—processing content locally for privacy.
Subscription
- $5.42/mo
SOM AI is an AI chatbot for Indonesian university students and researchers that brainstorms research titles, paraphrases text to lower plagiarism, explains complex concepts, and guides thesis outlines and literature reviews while saving conversation history for future reference.
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
Math AI provides instant GPT‑4 math solutions with step‑by‑step explanations. Capture problem screenshots in‑browser, choose detailed, quick, or tutor modes, and extend to physics, chemistry, biology. It auto‑adapts themes, formats LaTeX, supports 21 languages, and offers keyboard shortcuts.
Freemium
Sleek generates mobile app mockups from text prompts or images, offering templates, style presets, in-app editing, and modular responsive components. Export clean layouts to Figma or production-ready code for rapid prototyping and developer handoff.
Free
- $20/mo
SciDraw AI is a scientific illustration and data visualization tool that converts text prompts, sketches, or images into publication-ready figures. It generates editable SVG/PPTX exports, data-driven charts from CSV/Excel, and supports journal style presets and colorblind-friendly palettes for repro
Free trial
EZSync simulates recruiter interviews with 3D AI avatars, offering technical, HR, and behavioral modules. It provides instant AI feedback on communication, confidence, and relevance, tracks progress, and includes resume and cover‑letter tools.
Figr AI is an AI‑driven design platform that generates high‑fidelity mobile and web screens, landing pages, and prototypes in one environment. It uses a memory engine for product intelligence, supports PRD drafting, benchmark research, and design system token management.
Freemium
Atomic Chat is a fully offline, on-device AI chat app for macOS, Windows, Linux, iOS, and Android that runs 1,000+ LLMs locally with built-in agent support, persistent memory, and privacy-first design. It features TurboQuant optimizations for up to 8x faster attention and lower memory use, with one-
Free
Interview Wizard uses AI to generate custom mock interviews from a resume and job posting, simulating HR, behavioral, technical, and situational rounds. It records, scores on 15+ metrics, provides feedback and model answers, allowing unlimited practice and skill tracking.
Free trial
- $9.99/mo
VicSee.com is a physics-accurate AI video generator that creates short, synchronized audio-visual clips from text or images. It offers production controls for realistic motion, multiple styles, and aspect ratios, optimized for social media and marketing workflows.
Freemium
- $15/mo
AI Math Solver offers precise, step‑by‑step solutions for college‑level and SAT math, a Tutor Mode that poses probing questions, a Knowledge Graph linking concepts to practice problems, adaptive study plans, real‑time mastery tracking, and on‑demand question generation.
Freemium
HeyScience assists students, tutors, and researchers by gathering sources, outlining essays, and generating drafts. It tracks assignment progress, highlights key concepts, offers citation suggestions, and integrates with LMS for reference import. Users refine drafts with AI feedback.
Free