更新于今天

FEP/MD算法开发科学家

3.5-6.5万·14薪

北京海淀区
3-5年
硕士
全职
招1人

机器学习计算化学生物/制药

【主要职责】
1.开发并验证 RBFE/ABFE计算流程（包括 BAR/MBAR 方法、lambda 调度以及 soft-core势函数）。
2.使用内部SAR数据和公开数据集进行算法基准测试，并评估结果的不确定性和收敛性。
3.自动化系统设置流程，包括配体映射、protomers/tautomers、约束条件和水模型。
4.优化 GPU计算性能和并行复制模拟，以支持每周药物设计周期。
【任职要求】
1.3–5年相关工作经验，计算化学、物理学、化学生物学或相关专业硕士或博士学位。（优秀的研究生应届毕业生亦可考虑）
2.在计算化学和自由能计算领域具有扎实背景。
3.熟悉 BAR/MBAR 方法、lambda 调度以及 soft-core 势函数。
4.具备 GPU计算和并行复制模拟经验。
5.熟悉 **计算流程自动化与可重复性相关技术。
6.熟悉分子模拟软件，如 GROMACS、OpenMM、AMBER 等。

北京海淀区小月河东畔路16号院2号楼7层715至718号房屋

公司介绍

Founded in 2006, Meril is an India-based, global medical device company that is dedicated to the innovation, design and development of novel, clinically relevant and state-of-the-art devices. As a leading healthcare solutions company, our fundamental aim is to champion the alleviation of human suffering and improve quality of life. To enable this, we are committed to R&D, innovation in manufacturing medical technology, scientific communication, and contemporary distribution avenues. Meril was established by the Bilakhia Group, to improve the quality of human life through innovative and advanced healthcare solutions. As a medical device manufacturer, we strive to improve the inventiveness in healthcare so that people’s lives are enriched. We continually seek excellence in providing answers to some of medicine’s toughest questions. Meril manufactures medical solutions in the form of vascular intervention devices, orthopedic implants, robotics, endo-surgery, ENT products, and in-vitro diagnostics. It is our core commitment to ensuring the delivery of advanced healthcare solutions. Our inclination towards research and development is reflected in our diverse offerings. We ensure that we adhere to the best quality of standards in manufacturing, scientific communication and distribution to deliver path-breaking healthcare products to the world. We collaborate with physicians and global innovators to identify unmet clinical needs and develop revolutionary therapies. We encourage research and academic collaborations and remain available to interact on exciting opportunities. Headquartered in India with a manpower of more than 4000, Meril, by Bilakhia Group, currently conducts business in more than 100 countries. We have 100% subsidiaries in India, USA, Germany, Brazil, Russia, South Africa, Bangladesh and Turkey. We have set up operations in China and Japan too.