Merge pull request #96 from salesforce/rlchemists-dev

src for rlchemist project

example_envs/rlchemists/README.md

@@ -0,0 +1,19 @@
+# rlchemists
+
+This is the source code folder for the research project published on Nature Communications ...
+
+## structure
+1. `en_array`: energy landscape mesh from DFT
+2. `run_configs`: configs for different environments
+3. `single_agent_one_atom`: src for one atom scenario
+4. `single_agent_two_atom`: src for two atom scenario
+5. `scripts`: example running scripts 
+
+## installation
+1. setup GPU environment and install `warpdrive` package as instructed
+2. under the root directory of `rlchemists`, run `bash setenv.sh` to setup the Python path for this project
+
+## run
+We simply choose the environment and type to run a particular training, the supported ones are all included
+in the `run_configs` folders, for example, `run_configs/single_agent_one_atom_diffusion2d` can be run by 
+`python example_training_script_numba.py --env single_agent_one_atom --type diffusion2d`