Molecular Docking
The best 50 Molecular Docking AI tools - Free & Paid
Explore 50 AI for Molecular Docking
Calldock is an AI-driven voice agent platform that facilitates lead generation and appointment booking. It automates customer interactions, integrates with scheduling tools, and enhances communication through SMS and email, streamlining follow-ups and improving conversion rates.
Free trial
Docky.ai is an AI-driven sidebar tool for web browsers that offers access to multiple AI models for answering questions, summarizing documents, and improving search results, enhancing productivity for professionals, students, and researchers with seamless usability.
Subscription
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
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
GitHub Copilot is an AI pair programmer that uses the OpenAI Codex to suggest code and entire functions in real-time.
Free trial
Tensordock provides cloud GPU services for AI workloads, featuring on-demand Nvidia H100, A100, and RTX 4090 GPUs. It supports rapid deployment, extensive documentation, and efficient management of virtual environments for diverse applications.
Freemium
DrugCard automates literature screening and pharmacovigilance for CROs and regulators, using OCR to detect drug mentions in 100+ languages across 2,200+ journals. It delivers real‑time alerts and audit‑ready reports, saving 50–70 % of manual time.
Free
Semantic Scholar indexes 230 million papers, offering AI‑powered semantic search that prioritizes relevance and citation impact. It provides contextual PDF annotations, a developer API, and export options for literature reviews, grant research, and teaching.
Free
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
Termdock is a terminal-centric AI development environment that consolidates multi-workspace, multi-terminal workflows with resizable windows and picture-in-picture monitoring, AST-driven code analysis across 13+ languages, drag-and-drop CLI inputs, unified caching, search, and Git visualizations.
Freemium
DeepMotion converts video or text into realistic 3‑D character animation, extracting motion from a single camera and offering real‑time body and facial tracking for game devs, VR artists, and content creators. Its API integrates into pipelines, speeding production.
Freemium
- $9/mo
Maxclaw is a cloud-hosted AI agent built on minimax m2.5, offering one‑click deployment, persistent long‑term memory (200k+ tokens), persona customization, messaging integrations (Telegram/Discord/Slack), and tooling for browsing, code execution, file analysis and automation.
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
Dovetail's Customer Insights Hub helps product managers and researchers analyze customer feedback through real-time integration with apps like Slack. It offers a searchable repository and AI-driven analysis for qualitative data, enhancing collaboration and informed product decisions.
Freemium
Creates investor decks from prompts, URLs, or existing content, applying brand styles and auto‑populating data. Offers 100+ stage‑specific templates, interactive slide features, personalization variables, real‑time collaboration, CRM integration, analytics, and secure export options.
Free trial
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
ImageBind is a multimodal AI model that simultaneously processes images, video, audio, text, depth, thermal, and IMU data, learning a unified embedding space for seamless cross‑modal integration. It enables zero‑shot recognition, cross‑modal search, arithmetic, and generation tasks.
Freemium
Doclingo is an AI document translation platform that preserves original formatting and complex layouts across PDFs, Office files and images using OCR, supports batch translation, glossary management, bilingual export, API access and 90+ languages for integrated workflows.
Free
Provides API access to pretrained image generation models for text‑to‑image, image‑to‑image, and inpainting, with real‑time editing. Supports single‑call Dreambooth/LoRA training without local GPU, plus voice cloning, text‑to‑3D, interior design, and video creation.
Paid
- $27/mo
Pure Global delivers AI‑powered regulatory support for medical devices in 30+ markets, automating dossier compilation, translation, and distributor authorization. Real‑time liaison with local authorities and data tools streamline market registration, pathway strategy, and post‑market compliance.
Paid
Agentic Document Extraction pulls structured data from PDFs, images, spreadsheets using vision‑first parsing, preserving layout and delivering bounding‑box citations. Modular REST APIs and Python/TypeScript SDKs support on‑prem or cloud deployment for regulated sectors needing traceable, accurate ex
Subscription
- $250/mo
Packify converts product descriptions into instant 3‑D packaging mockups and printable dielines. It supplies AI templates for labels, nutrition facts, and regulatory graphics, enables logo and background edits, and integrates with e‑commerce and manufacturers to streamline design and production.
Freemium
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
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
365mvps is a powerful AI tool that helps entrepreneurs, indiehackers and developers generate minimum viable product (MVP) ideas. With its community-driven approach, the tool allows users to come up with MVP ideas based on pain points, general themes, and problem descriptions. 365mvps is an excellent
Freemium
Morphllmis a high-throughput AI code-editing platform that applies LLM-generated multi-file edits, automated diffs, and merges at 10,500+ tokens/sec via edit_file and MCP/OpenAI-compatible SDKs (TypeScript, Python) for editor, CI, and agent integration.
It combines warp-grep/warpsearch semantic co
Free trial
Petal is an AI document analysis platform that links to your knowledge bases to deliver context‑aware, fully sourced answers. It centralizes files in a cloud drive, auto‑extracts metadata, removes duplicates, and supports annotation and collaboration without email.
Freemium
- $2.55/mo
Docugami transforms unstructured business documents into structured knowledge graphs, extracting key data from contracts, invoices, clinical trials, and more. Its no‑code interface and secure connectors integrate with SharePoint, Google Drive, and ERPs, automating review, compliance, and decision wo
Freemium
Drawerrr connects engineers, designers, marketers, sustainability experts, students, and professionals to tackle real‑world challenges aligned with UN SDGs and US AID goals. Users choose a category, form teams (≤5) or solo, and submit ideas for jury review, mentorship, and networking.
Free
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
GlueCharm is an AI-powered tool for ideation and project analysis, specifically designed for teams to turn ideas into technical implementations efficiently. Its use-case focused design and visual interface boost productivity, enabling quick iterations for outstanding outcomes.
Subscription
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
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
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
CloudGlue converts video content into structured, LLM-ready data, enabling searchable databases, knowledge graph creation, and chatbot integration. It supports rapid indexing and customizable transcripts, streamlining video analysis for real-time applications across various industries.
Freemium
OLINTEK Cargo Load & ULD Build‑up is an AI engine that automatically generates aircraft cargo loading plans and ULD configurations. It visualizes 3‑D loading positions, optimizes space use while complying with aircraft and IATA limits, and offers API integration for adoption.
Subscription
Medullar is an AI data search tool that integrates with over 60 applications for efficient information retrieval. It supports natural language queries and ensures data security with end-to-end encryption, enhancing workplace productivity by minimizing time spent on searching.
Freemium
Pocketllm is an AI-powered personal document search engine that allows you to easily search and retrieve information from thousands of pages of PDFs and documents. It offers semantic search capability, fine-tuning search results and summarizing results.
Free trial
HoundDog.ai scans code to detect PII leaks and map data flows across logs, APIs, SDKs, and AI integrations. It auto‑creates GDPR‑aligned documents, blocks risky pull requests in IDEs and CI/CD, and supplies an API context engine for safer AI coding.
Freemium
qmd is an on-device CLI search engine that indexes documentation, notes, and transcripts, preserving tree structure to return contextual subdocuments; it supports BM25, vector search, local embeddings, and LLM re-ranking to improve retrieval for LLM workflows.
Free
ContextClue transforms CAD, PDF, ERP and planning files into queryable knowledge graphs, enabling semantic search and automated generation of SOPs, compliance reports, and digital‑twin data. Ideal for manufacturing, R&D, and maintenance teams to streamline specification access and part reuse.
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
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
Converts natural‑language requirements into structured artifacts, auto‑generating mock‑up forms, SQL, UML, database schemas and business‑process models, assembling documentation and accelerating MVP creation for organizations via a web interface adaptable to workflow.
Freemium
Web-based Dreambooth Google Colab and web UI interface for stable Diffusion.
Free