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Chemistry3D: Robotic Interaction Benchmark for Chemistry Experiments

Shoujie Li, Yan Huang, Changqing Guo, Tong Wu, Jiawei Zhang, Linrui Zhang, Wenbo Ding

TL;DR

Chemistry3D addresses the lack of integrated chemistry-robotics simulation by providing an Omniverse-based toolkit that models inorganic and organic reactions with real-time visualization, rich chemical assets, and robotic manipulation interfaces. It introduces a large inorganic/organic reaction dataset, a modular Controller Manager for robotic actions, and RL/LLM-enabled scenarios, together with Sim2Real capability for transparent objects. The authors validate the approach through chemical manipulation tests, visual perception benchmarks, embodied intelligence experiments, and PPO-based RL in OmniIsaacGymEnvs, demonstrating the platform's potential to enable safer, cheaper, and data-rich robotics research in chemistry. Overall, Chemistry3D offers a versatile, open platform that links synthesis planning, robotic automation, and perception in chemistry research and education.

Abstract

The advent of simulation engines has revolutionized learning and operational efficiency for robots, offering cost-effective and swift pipelines. However, the lack of a universal simulation platform tailored for chemical scenarios impedes progress in robotic manipulation and visualization of reaction processes. Addressing this void, we present Chemistry3D, an innovative toolkit that integrates extensive chemical and robotic knowledge. Chemistry3D not only enables robots to perform chemical experiments but also provides real-time visualization of temperature, color, and pH changes during reactions. Built on the NVIDIA Omniverse platform, Chemistry3D offers interfaces for robot operation, visual inspection, and liquid flow control, facilitating the simulation of special objects such as liquids and transparent entities. Leveraging this toolkit, we have devised RL tasks, object detection, and robot operation scenarios. Additionally, to discern disparities between the rendering engine and the real world, we conducted transparent object detection experiments using Sim2Real, validating the toolkit's exceptional simulation performance. The source code is available at https://github.com/huangyan28/Chemistry3D, and a related tutorial can be found at https://www.omni-chemistry.com.

Chemistry3D: Robotic Interaction Benchmark for Chemistry Experiments

TL;DR

Chemistry3D addresses the lack of integrated chemistry-robotics simulation by providing an Omniverse-based toolkit that models inorganic and organic reactions with real-time visualization, rich chemical assets, and robotic manipulation interfaces. It introduces a large inorganic/organic reaction dataset, a modular Controller Manager for robotic actions, and RL/LLM-enabled scenarios, together with Sim2Real capability for transparent objects. The authors validate the approach through chemical manipulation tests, visual perception benchmarks, embodied intelligence experiments, and PPO-based RL in OmniIsaacGymEnvs, demonstrating the platform's potential to enable safer, cheaper, and data-rich robotics research in chemistry. Overall, Chemistry3D offers a versatile, open platform that links synthesis planning, robotic automation, and perception in chemistry research and education.

Abstract

The advent of simulation engines has revolutionized learning and operational efficiency for robots, offering cost-effective and swift pipelines. However, the lack of a universal simulation platform tailored for chemical scenarios impedes progress in robotic manipulation and visualization of reaction processes. Addressing this void, we present Chemistry3D, an innovative toolkit that integrates extensive chemical and robotic knowledge. Chemistry3D not only enables robots to perform chemical experiments but also provides real-time visualization of temperature, color, and pH changes during reactions. Built on the NVIDIA Omniverse platform, Chemistry3D offers interfaces for robot operation, visual inspection, and liquid flow control, facilitating the simulation of special objects such as liquids and transparent entities. Leveraging this toolkit, we have devised RL tasks, object detection, and robot operation scenarios. Additionally, to discern disparities between the rendering engine and the real world, we conducted transparent object detection experiments using Sim2Real, validating the toolkit's exceptional simulation performance. The source code is available at https://github.com/huangyan28/Chemistry3D, and a related tutorial can be found at https://www.omni-chemistry.com.
Paper Structure (22 sections, 8 equations, 13 figures, 6 tables, 4 algorithms)

This paper contains 22 sections, 8 equations, 13 figures, 6 tables, 4 algorithms.

Table of Contents

  1. Introduction
  2. Related Work
  3. Chemistry3D
  4. Chemistry Simulation
  5. Chemical Environment
  6. Robotic Manipulation
  7. Experiments
  8. Chemical Experiments
  9. Chemical Manipulation
  10. Visual Sim2Real
  11. Embodied Intelligence
  12. Reinforcement Learning
  13. Conclusion
  14. Supplementary Material
  15. Mathematical Principle of Inorganic Reaction Simulator
  16. ...and 7 more sections

Figures (13)

  • Figure 1: Illustration of the Chemistry3D. Chemistry3D integrates a robot system, chemical experiment, and simulation engine, providing interfaces for robot manipulation, visual inspection, and fluid flow control and enabling reaction visualization.
  • Figure 2: The framework of the inorganic reaction simulator. The simulator processes the input reactant components as a pipeline and output the product information on component, representation and mid-state.
  • Figure 3: Illustration of simulated chemistry environment. The chemical containers with a green background were 3D scanned from real objects. This environment is designed to support a wide range of chemical and robotic experiments, providing a highly detailed and interactive platform..
  • Figure 4: Illustration of the motion and experiments in Chemistry3D. The figure showcases stages of Pick, Pour, Shake, Stir, and Place motions. Our experimental workflow integrates Chemical Manipulation, Visual Sim2Real, Embodied Intelligence, and Reinforcement Learning.
  • Figure 5: Visible emission spectrum of a blackbody radiator at 1000K
  • ...and 8 more figures